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Phenylpropanoids and polyketides

Phenylpropaniods are organic compounds characterized by having an aromatic ring and a three-carbon propene tail. Polyketides are compounds characterized by having two or more carbonyl functional groups connected with a single carbon atom.
Cinnamic acids and derivatives (2)
Depsides and depsidones (3)
Diarylheptanoids (3)
Flavonoids (6)
Isoflavonoids (8)
Macrolactams (3)
Phenylpropanoic acids (44)
Stilbenes (2)
Tetracyclines (3)

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1

(S)-(+)-2-Phenylpropionic acid, 97%

CAS: 7782-24-3 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00063139 InChI Key: YPGCWEMNNLXISK-ZETCQYMHSA-N Synonym: s-+-2-phenylpropionic acid,s-2-phenylpropanoic acid,2s-2-phenylpropanoic acid,s-hydratropic acid,+-hydratropic acid,s-2-phenyl-propionic acid,s-alpha-methylbenzeneacetic acid,s-2-phenylpropionic acid,s-+-hydratropic acid,unii-988109nfbc PubChem CID: 2724622 ChEBI: CHEBI:48527 IUPAC Name: (2S)-2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O

PubChem CID 2724622
CAS 7782-24-3
Molecular Weight (g/mol) 150.177
ChEBI CHEBI:48527
MDL Number MFCD00063139
SMILES CC(C1=CC=CC=C1)C(=O)O
Synonym s-+-2-phenylpropionic acid,s-2-phenylpropanoic acid,2s-2-phenylpropanoic acid,s-hydratropic acid,+-hydratropic acid,s-2-phenyl-propionic acid,s-alpha-methylbenzeneacetic acid,s-2-phenylpropionic acid,s-+-hydratropic acid,unii-988109nfbc
IUPAC Name (2S)-2-phenylpropanoic acid
InChI Key YPGCWEMNNLXISK-ZETCQYMHSA-N
Molecular Formula C9H10O2
2
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(S)-(+)-Ibuprofen, 99%, Thermo Scientific Chemicals

CAS: 51146-56-6 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.28 MDL Number: MFCD00069289 InChI Key: HEFNNWSXXWATRW-JTQLQIEISA-N Synonym: s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil PubChem CID: 39912 ChEBI: CHEBI:43415 IUPAC Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

PubChem CID 39912
CAS 51146-56-6
Molecular Weight (g/mol) 206.28
ChEBI CHEBI:43415
MDL Number MFCD00069289
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
Synonym s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil
IUPAC Name (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-JTQLQIEISA-N
Molecular Formula C13H18O2
3

(S)-(-)-3-Hydroxy-3-phenylpropionic acid, 98+%

CAS: 36567-72-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00145262 InChI Key: AYOLELPCNDVZKZ-QMMMGPOBSA-N Synonym: s-3-hydroxy-3-phenylpropanoic acid,3s-3-hydroxy-3-phenylpropanoic acid,s-3-hydroxy-3-phenylpropionic acid,?-3-phenylhydracrylic acid,s---3-hydroxy-3-phenylpropionic acid,benzenepropanoic acid,,a-hydroxy-,,as,s---3-hydroxy-3-phenylpropionic acid, 98+%,unii-s2w4lws09c component,s-3-hydroxy-3-phenylpropionic acid sum of enantiomers, gc PubChem CID: 2735057 ChEBI: CHEBI:51058 IUPAC Name: (3S)-3-hydroxy-3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)O

PubChem CID 2735057
CAS 36567-72-3
Molecular Weight (g/mol) 166.176
ChEBI CHEBI:51058
MDL Number MFCD00145262
SMILES C1=CC=C(C=C1)C(CC(=O)O)O
Synonym s-3-hydroxy-3-phenylpropanoic acid,3s-3-hydroxy-3-phenylpropanoic acid,s-3-hydroxy-3-phenylpropionic acid,?-3-phenylhydracrylic acid,s---3-hydroxy-3-phenylpropionic acid,benzenepropanoic acid,,a-hydroxy-,,as,s---3-hydroxy-3-phenylpropionic acid, 98+%,unii-s2w4lws09c component,s-3-hydroxy-3-phenylpropionic acid sum of enantiomers, gc
IUPAC Name (3S)-3-hydroxy-3-phenylpropanoic acid
InChI Key AYOLELPCNDVZKZ-QMMMGPOBSA-N
Molecular Formula C9H10O3
4

(S)-3-(Boc-amino)-3-phenylpropionic acid, 95%

CAS: 103365-47-5 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.309 MDL Number: MFCD01860892 InChI Key: JTNQFJPZRTURSI-NSHDSACASA-N Synonym: boc-s-3-amino-3-phenylpropionic acid,s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-n-boc-amino-beta-phenylalanine,s-n-boc-3-amino-3-phenylpropanoic acid,boc-d-beta-phe-oh,boc-d-beta-phenylalanine,s-boc-beta3-phenylalanine,boc-s-phenylalanine,3s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-boc-amino-3-phenylpropionic acid PubChem CID: 2734490 IUPAC Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1

PubChem CID 2734490
CAS 103365-47-5
Molecular Weight (g/mol) 265.309
MDL Number MFCD01860892
SMILES CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1
Synonym boc-s-3-amino-3-phenylpropionic acid,s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-n-boc-amino-beta-phenylalanine,s-n-boc-3-amino-3-phenylpropanoic acid,boc-d-beta-phe-oh,boc-d-beta-phenylalanine,s-boc-beta3-phenylalanine,boc-s-phenylalanine,3s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-boc-amino-3-phenylpropionic acid
IUPAC Name (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
InChI Key JTNQFJPZRTURSI-NSHDSACASA-N
Molecular Formula C14H19NO4
5

(S)-3-Hydroxy-3-phenylpropanoic acid, 99%

CAS: 36567-72-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00145262 InChI Key: AYOLELPCNDVZKZ-QMMMGPOBSA-N Synonym: s-3-hydroxy-3-phenylpropanoic acid,3s-3-hydroxy-3-phenylpropanoic acid,s-3-hydroxy-3-phenylpropionic acid,?-3-phenylhydracrylic acid,s---3-hydroxy-3-phenylpropionic acid,benzenepropanoic acid,,a-hydroxy-,,as,s---3-hydroxy-3-phenylpropionic acid, 98+%,unii-s2w4lws09c component,s-3-hydroxy-3-phenylpropionic acid sum of enantiomers, gc PubChem CID: 2735057 ChEBI: CHEBI:51058 IUPAC Name: (3S)-3-hydroxy-3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)O

PubChem CID 2735057
CAS 36567-72-3
Molecular Weight (g/mol) 166.18
ChEBI CHEBI:51058
MDL Number MFCD00145262
SMILES C1=CC=C(C=C1)C(CC(=O)O)O
Synonym s-3-hydroxy-3-phenylpropanoic acid,3s-3-hydroxy-3-phenylpropanoic acid,s-3-hydroxy-3-phenylpropionic acid,?-3-phenylhydracrylic acid,s---3-hydroxy-3-phenylpropionic acid,benzenepropanoic acid,,a-hydroxy-,,as,s---3-hydroxy-3-phenylpropionic acid, 98+%,unii-s2w4lws09c component,s-3-hydroxy-3-phenylpropionic acid sum of enantiomers, gc
IUPAC Name (3S)-3-hydroxy-3-phenylpropanoic acid
InChI Key AYOLELPCNDVZKZ-QMMMGPOBSA-N
Molecular Formula C9H10O3
6

(S)-Equol, TRC

CAS: 531-95-3 Molecular Formula: C15 H14 O3 Molecular Weight (g/mol): 242.27 Synonym: 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-, (3S)-,2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-, (S)-,4',7-Isoflavandiol (6CI,7CI,8CI),(3S)-3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol,(-)-(S)-Equol,(-)-Equol,(3S)-3-(4-Hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol,(3S)-Equol,(S)-(-)-4',7-Isoflavandiol,(S)-(-)-Equol,(S)-3-(4-Hydroxyphenyl)chroman-7-ol,(S)-Equol,4',7-Dihydroxyisoflavan,AUS 131,Equol,Equol, (-)-,S-equol,SE 5OH IUPAC Name: (3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol SMILES: Oc1ccc(cc1)[C@H]2COc3cc(O)ccc3C2

CAS 531-95-3
Molecular Weight (g/mol) 242.27
SMILES Oc1ccc(cc1)[C@H]2COc3cc(O)ccc3C2
Synonym 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-, (3S)-,2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-, (S)-,4',7-Isoflavandiol (6CI,7CI,8CI),(3S)-3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol,(-)-(S)-Equol,(-)-Equol,(3S)-3-(4-Hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol,(3S)-Equol,(S)-(-)-4',7-Isoflavandiol,(S)-(-)-Equol,(S)-3-(4-Hydroxyphenyl)chroman-7-ol,(S)-Equol,4',7-Dihydroxyisoflavan,AUS 131,Equol,Equol, (-)-,S-equol,SE 5OH
IUPAC Name (3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Molecular Formula C15 H14 O3
7

(S)-(-)-Carbidopa, TRC

CAS: 28860-95-9 Molecular Formula: C10 H14 N2 O4 Molecular Weight (g/mol): 226.23 Synonym: (αS)-α-Hydrazinyl-3,4-dihydroxy-α-methylbenzenepropanoic acid (ACI),Benzenepropanoic acid, α-hydrazino-3,4-dihydroxy-α-methyl-, (S)- (ZCI),Benzenepropanoic acid, α-hydrazino-3,4-dihydroxy-α-methyl-, (αS)- (9CI),Hydrocinnamic acid, α-hydrazino-3,4-dihydroxy-α-methyl-, L- (8CI),(-)-L-α-Hydrazino-3,4-dihydroxy-α-methylhydrocinamic acid,(-)-L-α-Hydrazino-3,4-dihydroxy-α-methylhydrocinnamic acid monohydrate,(2S)-2-(Aminoazaniumyl)-3-(3,4-dihydroxyphenyl)-2-methylpropanoate,(2S)-3-(3,4-Dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid,(S)-Carbidopa,1-α-(3,4-Dihydroxybenzyl)-α-hydrazinopropionic acid,L-3-(3,4-Dihydroxyphenyl)-2-methyl-2-hydrazinopropionic acid,L-Carbidopa,L-α-(3,4-Dihydroxybenzyl)-α-hydrazinopropionic acid,L-α-Hydrazino-3,4-dihydroxy-α-methylbenzenepropanoic acid,L-α-Hydrazino-α-methyl-3,4-dihydroxyphenylpropionic acid,L-α-Hydrazino-α-methyl-β-(3,4-dihydroxyphenyl)propionic acid,L-α-Methyl-α-hydrazino-3,4-dihydroxyphenylpropionic acid,L-α-Methyl-α-hydrazino-β-(3,4-dihydroxyphenyl)propionic acid,L-α-Methyl-β-(3,4-dihydroxyphenyl)-α-hydrazinopropionic acid,L-α-Methyldopahydrazine,Cabidopa,Carbidopa,HMD,Hydrazino-α-methyldopa,Lodosin,Lodosyn,MK 486,N-Aminomethyldopa,α-Hydrazino-α-methyl-β-(3,4-dihydroxyphenyl)propionic acid,α-Methyldopahydrazine IUPAC Name: (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid SMILES: C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O

CAS 28860-95-9
Molecular Weight (g/mol) 226.23
SMILES C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O
Synonym (αS)-α-Hydrazinyl-3,4-dihydroxy-α-methylbenzenepropanoic acid (ACI),Benzenepropanoic acid, α-hydrazino-3,4-dihydroxy-α-methyl-, (S)- (ZCI),Benzenepropanoic acid, α-hydrazino-3,4-dihydroxy-α-methyl-, (αS)- (9CI),Hydrocinnamic acid, α-hydrazino-3,4-dihydroxy-α-methyl-, L- (8CI),(-)-L-α-Hydrazino-3,4-dihydroxy-α-methylhydrocinamic acid,(-)-L-α-Hydrazino-3,4-dihydroxy-α-methylhydrocinnamic acid monohydrate,(2S)-2-(Aminoazaniumyl)-3-(3,4-dihydroxyphenyl)-2-methylpropanoate,(2S)-3-(3,4-Dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid,(S)-Carbidopa,1-α-(3,4-Dihydroxybenzyl)-α-hydrazinopropionic acid,L-3-(3,4-Dihydroxyphenyl)-2-methyl-2-hydrazinopropionic acid,L-Carbidopa,L-α-(3,4-Dihydroxybenzyl)-α-hydrazinopropionic acid,L-α-Hydrazino-3,4-dihydroxy-α-methylbenzenepropanoic acid,L-α-Hydrazino-α-methyl-3,4-dihydroxyphenylpropionic acid,L-α-Hydrazino-α-methyl-β-(3,4-dihydroxyphenyl)propionic acid,L-α-Methyl-α-hydrazino-3,4-dihydroxyphenylpropionic acid,L-α-Methyl-α-hydrazino-β-(3,4-dihydroxyphenyl)propionic acid,L-α-Methyl-β-(3,4-dihydroxyphenyl)-α-hydrazinopropionic acid,L-α-Methyldopahydrazine,Cabidopa,Carbidopa,HMD,Hydrazino-α-methyldopa,Lodosin,Lodosyn,MK 486,N-Aminomethyldopa,α-Hydrazino-α-methyl-β-(3,4-dihydroxyphenyl)propionic acid,α-Methyldopahydrazine
IUPAC Name (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
Molecular Formula C10 H14 N2 O4
8

(S)-(+)-Ibuprofen, TRC

CAS: 51146-56-6 Molecular Formula: C13 H18 O2 Molecular Weight (g/mol): 206.28 Synonym: Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, (αS)-,Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, (S)-,(+)-(S)-Ibuprofen,(+)-(S)-p-Isobutylhydratropic acid,(+)-Ibuprofen,(+)-Ibuprophen,(+)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid,(S)-(+)-2-(4-Isobutylphenyl)propionic acid,(S)-(+)-4-Isobutyl-α-methylphenylacetic acid,(S)-(+)-Ibuprofen,(S)-(+)-p-Isobutylhydratropic acid,(S)-2-(4-Isobutylphenyl)propanoic acid,(S)-2-(4-Isobutylphenyl)propionic acid,(S)-2-(p-Isobutylphenyl)propionic acid,(S)-Ibuprofen,(αS)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid,Dexibuprofen,Nyfen,S-Optifen,Seractil,Ultraprofen,d-Ibuprofen IUPAC Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O

CAS 51146-56-6
Molecular Weight (g/mol) 206.28
SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O
Synonym Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, (αS)-,Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, (S)-,(+)-(S)-Ibuprofen,(+)-(S)-p-Isobutylhydratropic acid,(+)-Ibuprofen,(+)-Ibuprophen,(+)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid,(S)-(+)-2-(4-Isobutylphenyl)propionic acid,(S)-(+)-4-Isobutyl-α-methylphenylacetic acid,(S)-(+)-Ibuprofen,(S)-(+)-p-Isobutylhydratropic acid,(S)-2-(4-Isobutylphenyl)propanoic acid,(S)-2-(4-Isobutylphenyl)propionic acid,(S)-2-(p-Isobutylphenyl)propionic acid,(S)-Ibuprofen,(αS)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid,Dexibuprofen,Nyfen,S-Optifen,Seractil,Ultraprofen,d-Ibuprofen
IUPAC Name (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
Molecular Formula C13 H18 O2
9

(S)-Naringenin, TRC

CAS: 480-41-1 Molecular Formula: C15 H12 O5 Molecular Weight (g/mol): 272.25 Synonym: Naringenin IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one SMILES: O=C1C[C@@H](C2=CC=C(O)C=C2)OC3=C1C(O)=CC(O)=C3

CAS 480-41-1
Molecular Weight (g/mol) 272.25
SMILES O=C1C[C@@H](C2=CC=C(O)C=C2)OC3=C1C(O)=CC(O)=C3
Synonym Naringenin
IUPAC Name (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Molecular Formula C15 H12 O5
10

(R)-(-)-Ibuprofen (S)-(+)-Lysinate, TRC

CAS: 157369-85-2 Molecular Formula: C13 H18 O2 . C6 H14 N2 O2 Molecular Weight (g/mol): 352.47 Synonym: L-Lysine, mono[(αR)-α-methyl-4-(2-methylpropyl)benzeneacetate] (9CI),L-Lysine, mono[(R)-α-methyl-4-(2-methylpropyl)benzeneacetate] (ZCI),Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, (R)-, compd. with L-lysine (1:1) (9CI),R-(-)-Ibuprofen L-lysine salt,(R)-Ibuprofen lysinate,(R)-Ibuprofen lysine IUPAC Name: (2S)-2,6-diaminohexanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)O.NCCCC[C@H](N)C(=O)O

CAS 157369-85-2
Molecular Weight (g/mol) 352.47
SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)O.NCCCC[C@H](N)C(=O)O
Synonym L-Lysine, mono[(αR)-α-methyl-4-(2-methylpropyl)benzeneacetate] (9CI),L-Lysine, mono[(R)-α-methyl-4-(2-methylpropyl)benzeneacetate] (ZCI),Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, (R)-, compd. with L-lysine (1:1) (9CI),R-(-)-Ibuprofen L-lysine salt,(R)-Ibuprofen lysinate,(R)-Ibuprofen lysine
IUPAC Name (2S)-2,6-diaminohexanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid
Molecular Formula C13 H18 O2 . C6 H14 N2 O2
11

2-Bromo (S)-Carbidopa, TRC

CAS: 43197-33-7 Molecular Formula: C10H13BrN2O4 Molecular Weight (g/mol): 305.13 Synonym: (S)-2-Bromo-alpha-hydrazino-4,5-dihydroxy-alpha-methylbenzenepropanoic Acid IUPAC Name: (2S)-3-(2-bromo-4,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid SMILES: C[C@@](Cc1cc(O)c(O)cc1Br)(NN)C(=O)O

CAS 43197-33-7
Molecular Weight (g/mol) 305.13
SMILES C[C@@](Cc1cc(O)c(O)cc1Br)(NN)C(=O)O
Synonym (S)-2-Bromo-alpha-hydrazino-4,5-dihydroxy-alpha-methylbenzenepropanoic Acid
IUPAC Name (2S)-3-(2-bromo-4,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
Molecular Formula C10H13BrN2O4
12

3-Aminorifamycin S (Technical Grade), TRC

CAS: 51756-80-0 Molecular Formula: C37H46N2O12 Molecular Weight (g/mol): 710.77 Synonym: 3-Amino-1,4-dideoxy-1,4-dihydro-1,4-dioxorifamycin; IUPAC Name: [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-amino-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate SMILES: CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(N)C(=O)c4c3C2=O)NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C

CAS 51756-80-0
Molecular Weight (g/mol) 710.77
SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(N)C(=O)c4c3C2=O)NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C
Synonym 3-Amino-1,4-dideoxy-1,4-dihydro-1,4-dioxorifamycin;
IUPAC Name [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-amino-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate
Molecular Formula C37H46N2O12
13

Shvo's Catalyst, TRC

CAS: 104439-77-2 Molecular Formula: C62H42O6Ru2 Molecular Weight (g/mol): 1085.13 Synonym: Tetracarbonyl-μ-hydro[(1,2,3,4,5-η)-1-hydroxy-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-yl][(2,3,4,5-η)-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-one]di-ruthenium Coordination Compound,2,3,4,5-Tetraphenyl-1,3-cyclopentadien-1-ol Ruthenium Complex,2,3,4,5-Tetraphenyl-2,4-cyclopentadien-1-one Ruthenium Complex,Tetracarbonyl-μ-hydro[(1,2,3,4,5-η)-1-hydroxylato-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-yl][(1,2,3,4,5-η)-1-hydroxy-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-yl]diruthenium,1-Hydroxytetraphenylcyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-mu-hydrotetracarbonyldiruthenium(II),Shvo Catalyst SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3)C(=C([C]2C4=CC=CC=C4)O)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C(C3=CC=CC=C3)C(=O)C(=C2C4=CC=CC=C4)C5=CC=CC=C5.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru].[Ru]

CAS 104439-77-2
Molecular Weight (g/mol) 1085.13
SMILES C1=CC=C(C=C1)C2=C(C3=CC=CC=C3)C(=C([C]2C4=CC=CC=C4)O)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C(C3=CC=CC=C3)C(=O)C(=C2C4=CC=CC=C4)C5=CC=CC=C5.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru].[Ru]
Synonym Tetracarbonyl-μ-hydro[(1,2,3,4,5-η)-1-hydroxy-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-yl][(2,3,4,5-η)-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-one]di-ruthenium Coordination Compound,2,3,4,5-Tetraphenyl-1,3-cyclopentadien-1-ol Ruthenium Complex,2,3,4,5-Tetraphenyl-2,4-cyclopentadien-1-one Ruthenium Complex,Tetracarbonyl-μ-hydro[(1,2,3,4,5-η)-1-hydroxylato-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-yl][(1,2,3,4,5-η)-1-hydroxy-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-yl]diruthenium,1-Hydroxytetraphenylcyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-mu-hydrotetracarbonyldiruthenium(II),Shvo Catalyst
Molecular Formula C62H42O6Ru2
14

(R,S)-Equol 4’-Sulfate Sodium Salt (90%), TRC

CAS: 1189685-28-6 Molecular Formula: C15 H13 O6 S . Na Molecular Weight (g/mol): 344.31 Synonym: 3,4-Dihydro-3-[4-(sulfooxy)phenyl]-2H-1-benzopyran-7-ol Sodium Salt; IUPAC Name: sodium;[4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)phenyl] sulfate SMILES: [Na+].Oc1ccc2CC(COc2c1)c3ccc(OS(=O)(=O)[O-])cc3

CAS 1189685-28-6
Molecular Weight (g/mol) 344.31
SMILES [Na+].Oc1ccc2CC(COc2c1)c3ccc(OS(=O)(=O)[O-])cc3
Synonym 3,4-Dihydro-3-[4-(sulfooxy)phenyl]-2H-1-benzopyran-7-ol Sodium Salt;
IUPAC Name sodium;[4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)phenyl] sulfate
Molecular Formula C15 H13 O6 S . Na
15

L-(-)-3-Phenyllactic acid, 98%

CAS: 20312-36-1 Molecular Formula: C9H9O3 Molecular Weight (g/mol): 165.17 MDL Number: MFCD00004244 InChI Key: VOXXWSYKYCBWHO-QMMMGPOBSA-M Synonym: l---3-phenyllactic acid,s-2-hydroxy-3-phenylpropionic acid,s-2-hydroxy-3-phenylpropanoic acid,l--3-phenyllactic acid,s---3-phenyllactic acid,l-3-phenyllactic acid,d-3-phenyllactic acid,2s-2-hydroxy-3-phenylpropanoic acid,s-3-phenyllactic acid,s---2-hydroxy-3-phenylpropionic acid PubChem CID: 444718 ChEBI: CHEBI:43065 IUPAC Name: (2S)-2-hydroxy-3-phenylpropanoic acid SMILES: O[C@@H](CC1=CC=CC=C1)C([O-])=O

PubChem CID 444718
CAS 20312-36-1
Molecular Weight (g/mol) 165.17
ChEBI CHEBI:43065
MDL Number MFCD00004244
SMILES O[C@@H](CC1=CC=CC=C1)C([O-])=O
Synonym l---3-phenyllactic acid,s-2-hydroxy-3-phenylpropionic acid,s-2-hydroxy-3-phenylpropanoic acid,l--3-phenyllactic acid,s---3-phenyllactic acid,l-3-phenyllactic acid,d-3-phenyllactic acid,2s-2-hydroxy-3-phenylpropanoic acid,s-3-phenyllactic acid,s---2-hydroxy-3-phenylpropionic acid
IUPAC Name (2S)-2-hydroxy-3-phenylpropanoic acid
InChI Key VOXXWSYKYCBWHO-QMMMGPOBSA-M
Molecular Formula C9H9O3