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Flavonoids

Polyphenolic organic compounds that have 15 carbons with the general structure of two phenyl rings and a heterocyclic ring, or a ring with two or more atoms. Flavonoids are a class of polyphenolic plant and fungus secondary metabolites.
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Keyword Search:
1 – 15 of 19 results
1

Glucopeonidin Trifluoroacetic Acid, TRC

Molecular Formula: C22 H23 O11 • C2 H F3 O2 Molecular Weight (g/mol): 577.44 Synonym: 3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium TFA Salt,3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium TFA Salt,3-(Glucosyloxy)-4',5,7-trihydroxy-3'-methoxyflavylium TFA Salt,3-(beta-D-glucopyranosyloxy)-4',5,7-trihydroxy-3'-methoxy-flavylium TFA Salt,beta-D- Peonidin-3-glucopyranoside; IUPAC Name: 2,2,2-trifluoroacetic acid, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium salt SMILES: OC(C(F)(F)F)=O.OC1=CC(O)=C2C=C(OC3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)C(C4=CC(OC)=C(O)C=C4)=[O+]C2=C1

Molecular Weight (g/mol) 577.44
SMILES OC(C(F)(F)F)=O.OC1=CC(O)=C2C=C(OC3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)C(C4=CC(OC)=C(O)C=C4)=[O+]C2=C1
Synonym 3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium TFA Salt,3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium TFA Salt,3-(Glucosyloxy)-4',5,7-trihydroxy-3'-methoxyflavylium TFA Salt,3-(beta-D-glucopyranosyloxy)-4',5,7-trihydroxy-3'-methoxy-flavylium TFA Salt,beta-D- Peonidin-3-glucopyranoside;
IUPAC Name 2,2,2-trifluoroacetic acid, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium salt
Molecular Formula C22 H23 O11 • C2 H F3 O2
2
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Quercetin hydrate, 95%

CAS: 849061-97-8 Molecular Formula: C15H10O7 Molecular Weight (g/mol): 302.24 MDL Number: MFCD03847906 InChI Key: REFJWTPEDVJJIY-UHFFFAOYSA-N Synonym: quercetin hydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,quercetinhydrate,quercetine sophoretin /,regid_for_cid_747934,regid_for_cid_16212154,3,3;,4;,5,7-pentahydroxyflavon,2-3,4-dihydroxyphenyl-3,5,7-trihydroxychromen-4-one, hydrate PubChem CID: 16212154 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate SMILES: OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1

PubChem CID 16212154
CAS 849061-97-8
Molecular Weight (g/mol) 302.24
MDL Number MFCD03847906
SMILES OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1
Synonym quercetin hydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,quercetinhydrate,quercetine sophoretin /,regid_for_cid_747934,regid_for_cid_16212154,3,3;,4;,5,7-pentahydroxyflavon,2-3,4-dihydroxyphenyl-3,5,7-trihydroxychromen-4-one, hydrate
IUPAC Name 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate
InChI Key REFJWTPEDVJJIY-UHFFFAOYSA-N
Molecular Formula C15H10O7
3

Thermo Scientific Chemicals Hesperidin, 90+%

CAS: 520-26-3 Molecular Formula: C28H34O15 Molecular Weight (g/mol): 610.57 MDL Number: MFCD00075663 InChI Key: QUQPHWDTPGMPEX-QJBIFVCTSA-N PubChem CID: 45358131 SMILES: COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1

PubChem CID 45358131
CAS 520-26-3
Molecular Weight (g/mol) 610.57
MDL Number MFCD00075663
SMILES COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1
InChI Key QUQPHWDTPGMPEX-QJBIFVCTSA-N
Molecular Formula C28H34O15
4

Quercetin dihydrate, 97%

CAS: 6151-25-3 Molecular Formula: C15H14O9 Molecular Weight (g/mol): 338.27 MDL Number: MFCD00149487 InChI Key: GMGIWEZSKCNYSW-UHFFFAOYSA-N Synonym: quercetin dihydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate,quercetine dihydrate,quercetin, dihydrate,ccris 3304,3,3',4',5,7-pentahydroxyflavone dihydrate,quercetin dihydrate sophoretin,flavone, 3,3',4',5,7-pentahydroxy-, dihydrate,dsstox_cid_1219,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate PubChem CID: 5284452 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate SMILES: O.O.OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1

PubChem CID 5284452
CAS 6151-25-3
Molecular Weight (g/mol) 338.27
MDL Number MFCD00149487
SMILES O.O.OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1
Synonym quercetin dihydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate,quercetine dihydrate,quercetin, dihydrate,ccris 3304,3,3',4',5,7-pentahydroxyflavone dihydrate,quercetin dihydrate sophoretin,flavone, 3,3',4',5,7-pentahydroxy-, dihydrate,dsstox_cid_1219,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate
IUPAC Name 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate
InChI Key GMGIWEZSKCNYSW-UHFFFAOYSA-N
Molecular Formula C15H14O9
5

Naringin

CAS: 10236-47-2 Molecular Formula: C27H32O14 Molecular Weight (g/mol): 580.54 MDL Number: MFCD00148888,MFCD00149445,MFCD01461988 InChI Key: DFPMSGMNTNDNHN-ZPHOTFPESA-N Synonym: 4',5,7-Trihydroxyflavanone 7-rhamnoglucoside PubChem CID: 74787988 IUPAC Name: 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O

PubChem CID 74787988
CAS 10236-47-2
Molecular Weight (g/mol) 580.54
MDL Number MFCD00148888,MFCD00149445,MFCD01461988
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O
Synonym 4',5,7-Trihydroxyflavanone 7-rhamnoglucoside
IUPAC Name 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
InChI Key DFPMSGMNTNDNHN-ZPHOTFPESA-N
Molecular Formula C27H32O14
6

(+)-Rutin trihydrate, 95%

CAS: 250249-75-3 Molecular Formula: C27H36O19 Molecular Weight (g/mol): 664.566 MDL Number: MFCD00149490 InChI Key: NLLBWFFSGHKUSY-JPRRWYCFSA-N Synonym: rutoside trihydrate,+-rutin trihydrate,rutin trihydrate,rutin hydrate,unii-rf4n03853g,2-3,4-dihydroxyphenyl-5,7-dihydroxy-3-2s,3r,4s,5s,6r-3,4,5-trihydroxy-6-2r,3r,4r,5r,6s-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl oxy methyl tetrahydro-2h-pyran-2-yl oxy-4h-chromen-4-one trihydrate,rutoside trihydrate ep,rutin hydrate jan,rutin trihydrate hplc,rutin trihydrate, analytical standard PubChem CID: 16218542 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O

PubChem CID 16218542
CAS 250249-75-3
Molecular Weight (g/mol) 664.566
MDL Number MFCD00149490
SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O
Synonym rutoside trihydrate,+-rutin trihydrate,rutin trihydrate,rutin hydrate,unii-rf4n03853g,2-3,4-dihydroxyphenyl-5,7-dihydroxy-3-2s,3r,4s,5s,6r-3,4,5-trihydroxy-6-2r,3r,4r,5r,6s-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl oxy methyl tetrahydro-2h-pyran-2-yl oxy-4h-chromen-4-one trihydrate,rutoside trihydrate ep,rutin hydrate jan,rutin trihydrate hplc,rutin trihydrate, analytical standard
IUPAC Name 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate
InChI Key NLLBWFFSGHKUSY-JPRRWYCFSA-N
Molecular Formula C27H36O19
7

Thermo Scientific Chemicals Repaglinide

CAS: 135062-02-1 Molecular Formula: C27H36N2O4 Molecular Weight (g/mol): 452.60 MDL Number: MFCD00906179 InChI Key: FAEKWTJYAYMJKF-QHCPKHFHSA-N IUPAC Name: 2-ethoxy-4-({[(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]carbamoyl}methyl)benzoic acid SMILES: CCOC1=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=CC=C1C(O)=O

CAS 135062-02-1
Molecular Weight (g/mol) 452.60
MDL Number MFCD00906179
SMILES CCOC1=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=CC=C1C(O)=O
IUPAC Name 2-ethoxy-4-({[(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]carbamoyl}methyl)benzoic acid
InChI Key FAEKWTJYAYMJKF-QHCPKHFHSA-N
Molecular Formula C27H36N2O4
8

Diosmetin 3-O-Beta-D-Glucuronide, TRC

CAS: 152503-50-9 Molecular Formula: C22 H20 O12 Molecular Weight (g/mol): 476.39 Synonym: 5-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl-β-D-Glucopyranosiduronic Acid IUPAC Name: (2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid SMILES: COc1ccc(cc1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)C3=CC(=O)c4c(O)cc(O)cc4O3

CAS 152503-50-9
Molecular Weight (g/mol) 476.39
SMILES COc1ccc(cc1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)C3=CC(=O)c4c(O)cc(O)cc4O3
Synonym 5-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl-β-D-Glucopyranosiduronic Acid
IUPAC Name (2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Formula C22 H20 O12
9

Hesperetin 3’-O-Beta-D-Glucuronide, TRC

CAS: 150985-66-3 Molecular Formula: C22H22O12 Molecular Weight (g/mol): 478.4 Synonym: (S)-5-(3,4-Dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl)-2-methoxyphenyl β-D-Glucopyranosiduronic Acid; IUPAC Name: (2S,3S,4S,5R,6S)-6-(5-((R)-5,7-dihydroxy-4-oxochroman-2-yl)-2-methoxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid SMILES: O=C1C2=C(C=C(C=C2O[C@H](C1)C3=CC(O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(O)=O)O)O)O)=C(C=C3)OC)O)O

CAS 150985-66-3
Molecular Weight (g/mol) 478.4
SMILES O=C1C2=C(C=C(C=C2O[C@H](C1)C3=CC(O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(O)=O)O)O)O)=C(C=C3)OC)O)O
Synonym (S)-5-(3,4-Dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl)-2-methoxyphenyl β-D-Glucopyranosiduronic Acid;
IUPAC Name (2S,3S,4S,5R,6S)-6-(5-((R)-5,7-dihydroxy-4-oxochroman-2-yl)-2-methoxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Molecular Formula C22H22O12
11

Naringenin 7-O-beta-D-Glucuronide Sodium Salt (Mixture of Diastereomers), TRC

Molecular Formula: C21H19NaO11 Molecular Weight (g/mol): 470.36 Synonym: (2S)-3,4-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2H-1-benzopyran-7-yl β-D-Glucopyranosiduronic Acid Sodium Salt IUPAC Name: sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-2-(4-hydroxyphenyl)-4-oxochroman-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylate SMILES: OC1=CC(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O[Na])=O)O2)=CC3=C1C(CC(C4=CC=C(O)C=C4)O3)=O

Molecular Weight (g/mol) 470.36
SMILES OC1=CC(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O[Na])=O)O2)=CC3=C1C(CC(C4=CC=C(O)C=C4)O3)=O
Synonym (2S)-3,4-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2H-1-benzopyran-7-yl β-D-Glucopyranosiduronic Acid Sodium Salt
IUPAC Name sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-2-(4-hydroxyphenyl)-4-oxochroman-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylate
Molecular Formula C21H19NaO11
12

Luteolin- 7-O-Glucuronide, TRC

CAS: 29741-10-4 Molecular Formula: C21H18O12 Molecular Weight (g/mol): 462.36 Synonym: β-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl,Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl, β-D- (8CI),Flavone, 3',4',5,7-tetrahydroxy-, 7-β-D-glucopyranuronoside (8CI),2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid,Cyanidenon-7-O-β-D-glucuronic acid,Luteolin 7-O-glucuronide,Luteolin 7-O-β-D-glucuronide,Luteolin 7-O-β-D-glucuronopyranoside,Luteolin 7-O-β-glucuronide,Luteolin 7-O-β-glucuronopyranoside,Luteolin 7-glucuronide,Luteolin-7-β-D-glucuronide,Cyanidenon-7-O-beta-D-glucuronic Acid,Luteolin 7-O-Glucuronide,Luteolin 7-O-beta-D-Glucuronide,Luteolin 7-O-beta-D-Glucuronopyranoside,Luteolin 7-O-beta-Glucuronide,Luteolin 7-O-beta-Glucuronopyranoside,Luteolin 7-Glucuronide;Luteolin-7-beta-D-Glucuronide IUPAC Name: (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid SMILES: O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)c(O)c4)O[C@@H]([C@H]1O)C(=O)O

CAS 29741-10-4
Molecular Weight (g/mol) 462.36
SMILES O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)c(O)c4)O[C@@H]([C@H]1O)C(=O)O
Synonym β-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl,Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl, β-D- (8CI),Flavone, 3',4',5,7-tetrahydroxy-, 7-β-D-glucopyranuronoside (8CI),2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid,Cyanidenon-7-O-β-D-glucuronic acid,Luteolin 7-O-glucuronide,Luteolin 7-O-β-D-glucuronide,Luteolin 7-O-β-D-glucuronopyranoside,Luteolin 7-O-β-glucuronide,Luteolin 7-O-β-glucuronopyranoside,Luteolin 7-glucuronide,Luteolin-7-β-D-glucuronide,Cyanidenon-7-O-beta-D-glucuronic Acid,Luteolin 7-O-Glucuronide,Luteolin 7-O-beta-D-Glucuronide,Luteolin 7-O-beta-D-Glucuronopyranoside,Luteolin 7-O-beta-Glucuronide,Luteolin 7-O-beta-Glucuronopyranoside,Luteolin 7-Glucuronide;Luteolin-7-beta-D-Glucuronide
IUPAC Name (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Formula C21H18O12
13

(-)-Catechin Gallate, TRC

CAS: 130405-40-2 Molecular Formula: C22 H18 O10 Molecular Weight (g/mol): 442.37 Synonym: Benzoic acid, 3,4,5-trihydroxy-, (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester,Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2S-trans)-,(-)-Catechin 3-O-gallate,(-)-Catechin 3-gallate,(-)-Catechin gallate IUPAC Name: [(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate SMILES: Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c4ccc(O)c(O)c4

CAS 130405-40-2
Molecular Weight (g/mol) 442.37
SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c4ccc(O)c(O)c4
Synonym Benzoic acid, 3,4,5-trihydroxy-, (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester,Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2S-trans)-,(-)-Catechin 3-O-gallate,(-)-Catechin 3-gallate,(-)-Catechin gallate
IUPAC Name [(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Molecular Formula C22 H18 O10
14

(-)-Gallocatechin Gallate, TRC

CAS: 4233-96-9 Molecular Formula: C22 H18 O11 Molecular Weight (g/mol): 458.37 Synonym: Benzoic acid, 3,4,5-trihydroxy-, (2S,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester,Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2S-trans)-,Gallocatechol, 3-gallate, (-)- (8CI),Gallic acid, ester with gallocatechol, (-) (8CI),(-)-Gallocatechin 3-O-gallate,(-)-Gallocatechin 3-gallate,(-)-Gallocatechin gallate,(-)-Gallocatechol gallate,L-GCG,NVP-XAA 225 IUPAC Name: [(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate SMILES: Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c4cc(O)c(O)c(O)c4

CAS 4233-96-9
Molecular Weight (g/mol) 458.37
SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c4cc(O)c(O)c(O)c4
Synonym Benzoic acid, 3,4,5-trihydroxy-, (2S,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester,Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2S-trans)-,Gallocatechol, 3-gallate, (-)- (8CI),Gallic acid, ester with gallocatechol, (-) (8CI),(-)-Gallocatechin 3-O-gallate,(-)-Gallocatechin 3-gallate,(-)-Gallocatechin gallate,(-)-Gallocatechol gallate,L-GCG,NVP-XAA 225
IUPAC Name [(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Molecular Formula C22 H18 O11
15

Naringenin 4'-O-Beta-D-Glucuronide Sodium Salt (Mixture of Diastereomers), TRC

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Molecular Weight (g/mol) 470.36
InChI Formula InChI=1S/C21H20O11.Na/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)30-21-18(27)16(25)17(26)19(32-21)20(28)29;/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29);/q;+1/p-1/t13?,16-,17-,18+,19-,21+;/m0./s1
Chemical Name or Material Naringenin 4'-O-beta-D-Glucuronide Sodium Salt (Mixture of Diastereomers)
SMILES OC1=CC(O)=CC2=C1C(CC(C3=CC=C(O[C@@H]4O[C@H](C(O[Na])=O)[C@@H](O)[C@H](O)[C@H]4O)C=C3)O2)=O
Synonym 4-[3,4-Dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]phenyl β-D-Glucopyranosiduronic Acid Sodium Salt,Naringenin-4'-O-β-D-glucuronopyranoside Sodium Salt
Recommended Storage -20°C
Molecular Formula C21H19NaO11
Formula Weight 470.08