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Steroids and derivatives

Any of a large class of organic compounds with a characteristic molecular structure containing four rings of carbon atoms (three six-membered and one five) and associated derivatives; includes many hormones, alkaloids, and vitamins.

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1

Brassinolide >90%, TRC

CAS: 72962-43-7 Molecular Formula: C28 H48 O6 Molecular Weight (g/mol): 480.68 Synonym: B-Homo-7-oxaergostan-6-one, 2,3,22,23-tetrahydroxy-, (2α,3α,5α,22R,23R,24S)-,(1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-1-[(1S,2R,3R,4S)-2,3-Dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-6H-benz[c]indeno[5,4-e]oxepin-6-one,6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-(2,3-dihydroxy-1,4,5-trimethylhexyl)hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, [1R-[1α(1S*,2R*,3R*,4S*),3aβ,3bα,6aβ,8β,9β,10aα,10bβ,12aα]]-,Brassin lactone,Brassinolide IUPAC Name: (1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one SMILES: CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C

CAS 72962-43-7
Molecular Weight (g/mol) 480.68
SMILES CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Synonym B-Homo-7-oxaergostan-6-one, 2,3,22,23-tetrahydroxy-, (2α,3α,5α,22R,23R,24S)-,(1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-1-[(1S,2R,3R,4S)-2,3-Dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-6H-benz[c]indeno[5,4-e]oxepin-6-one,6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-(2,3-dihydroxy-1,4,5-trimethylhexyl)hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, [1R-[1α(1S*,2R*,3R*,4S*),3aβ,3bα,6aβ,8β,9β,10aα,10bβ,12aα]]-,Brassin lactone,Brassinolide
IUPAC Name (1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
Molecular Formula C28 H48 O6
2

Isotachysterol3, 90%, TRC

CAS: 22350-43-2 Molecular Formula: C27 H44 O Molecular Weight (g/mol): 384.64 Synonym: 9,10-Secocholesta-5(10),6,8(14)-trien-3-ol, (3β,6E)- (9CI),9,10-Secocholesta-5(10),6,8(14)-trien-3β-ol, (E)- (8CI),Isotachysterol3 (6CI),Toxisterol3 D3,(6E)-9,10-Secocholesta-5(10),6,8(14)-trien-3β-ol,Isotachysterol3 IUPAC Name: (1S)-3-[(E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol SMILES: CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[C@]12C)\C=C\C3=C(C)CC[C@H](O)C3

CAS 22350-43-2
Molecular Weight (g/mol) 384.64
SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[C@]12C)\C=C\C3=C(C)CC[C@H](O)C3
Synonym 9,10-Secocholesta-5(10),6,8(14)-trien-3-ol, (3β,6E)- (9CI),9,10-Secocholesta-5(10),6,8(14)-trien-3β-ol, (E)- (8CI),Isotachysterol3 (6CI),Toxisterol3 D3,(6E)-9,10-Secocholesta-5(10),6,8(14)-trien-3β-ol,Isotachysterol3
IUPAC Name (1S)-3-[(E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol
Molecular Formula C27 H44 O
3

Epi Brassinolide, 90%, TRC

CAS: 78821-43-9 Molecular Formula: C28 H48 O6 Molecular Weight (g/mol): 480.68 Synonym: B-Homo-7-oxaergostan-6-one, 2,3,22,23-tetrahydroxy-, (2α,3α,5α,22R,23R)-,(1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-1-[(1S,2R,3R,4R)-2,3-Dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-6H-benz[c]indeno[5,4-e]oxepin-6-one,(22R,23R,24R)-2α,3α,22,23-Tetrahydroxy-B-homo-7-oxa-5α-ergostan-6-one,24(R)-Epibrassinolide,24-Epibrassinolide,24-epi-Brassinolide,6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-(2,3-dihydroxy-1,4,5-trimethylhexyl)hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, [1R-[1α(1S*,2R*,3R*,4R*),3aβ,3bα,6aβ,8β,9β,10aα,10bβ,12aα]]-,B 1105,BP 55,Epibrassinolide,Epibrassinolide R,Epin,6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-[(1S,2R,3R,4R)-2,3-dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)- SMILES: CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C

CAS 78821-43-9
Molecular Weight (g/mol) 480.68
SMILES CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Synonym B-Homo-7-oxaergostan-6-one, 2,3,22,23-tetrahydroxy-, (2α,3α,5α,22R,23R)-,(1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-1-[(1S,2R,3R,4R)-2,3-Dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-6H-benz[c]indeno[5,4-e]oxepin-6-one,(22R,23R,24R)-2α,3α,22,23-Tetrahydroxy-B-homo-7-oxa-5α-ergostan-6-one,24(R)-Epibrassinolide,24-Epibrassinolide,24-epi-Brassinolide,6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-(2,3-dihydroxy-1,4,5-trimethylhexyl)hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, [1R-[1α(1S*,2R*,3R*,4R*),3aβ,3bα,6aβ,8β,9β,10aα,10bβ,12aα]]-,B 1105,BP 55,Epibrassinolide,Epibrassinolide R,Epin,6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-[(1S,2R,3R,4R)-2,3-dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-
Molecular Formula C28 H48 O6
4

Alpha-Ecdysone ( >90%), TRC

CAS: 3604-87-3 Molecular Formula: C27 H44 O6 Molecular Weight (g/mol): 464.63 Synonym: (2β,3β,5β,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one IUPAC Name: (2S,3R,5R,9R,10R,13R,14S,17R)-17-[(1S,2R)-2,5-dihydroxy-1,5-dimethyl-hexyl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one SMILES: C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C

CAS 3604-87-3
Molecular Weight (g/mol) 464.63
SMILES C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Synonym (2β,3β,5β,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one
IUPAC Name (2S,3R,5R,9R,10R,13R,14S,17R)-17-[(1S,2R)-2,5-dihydroxy-1,5-dimethyl-hexyl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Molecular Formula C27 H44 O6
6

5,6-trans-Vitamin D3, ~90%, TRC

CAS: 22350-41-0 Molecular Formula: C27 H44 O Molecular Weight (g/mol): 384.64 Synonym: (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanol,9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3β,5E,7E)- (9CI),9,10-Secocholesta-5,7,10(19)-trien-3β-ol, (E,E)- (8CI),5,6-trans-Cholecalciferol,5,6-trans-Vitamin D3,trans-Vitamin D3,Cholecalciferol impurity A,Trans-cholecalciferol IUPAC Name: (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C\3/C[C@@H](O)CCC3=C)\CCC[C@]12C

CAS 22350-41-0
Molecular Weight (g/mol) 384.64
SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C\3/C[C@@H](O)CCC3=C)\CCC[C@]12C
Synonym (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanol,9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3β,5E,7E)- (9CI),9,10-Secocholesta-5,7,10(19)-trien-3β-ol, (E,E)- (8CI),5,6-trans-Cholecalciferol,5,6-trans-Vitamin D3,trans-Vitamin D3,Cholecalciferol impurity A,Trans-cholecalciferol
IUPAC Name (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Molecular Formula C27 H44 O
7

6beta-Hydroxy Prednisolone (>90%), TRC

CAS: 16355-29-6 Molecular Formula: C21H28O6 Molecular Weight (g/mol): 376.44 Synonym: Pregna-1,4-diene-3,20-dione, 6,11,17,21-tetrahydroxy-, (6β,11β)-,Pregna-1,4-diene-3,20-dione, 6β,11β,17,21-tetrahydroxy- (6CI,7CI,8CI),(6β,11β)-6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione,6β-Hydroxyprednisolone SMILES: C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO

CAS 16355-29-6
Molecular Weight (g/mol) 376.44
SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Synonym Pregna-1,4-diene-3,20-dione, 6,11,17,21-tetrahydroxy-, (6β,11β)-,Pregna-1,4-diene-3,20-dione, 6β,11β,17,21-tetrahydroxy- (6CI,7CI,8CI),(6β,11β)-6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione,6β-Hydroxyprednisolone
Molecular Formula C21H28O6
8

5(6)-Dehydro-4(5)-dihydro D-(-)-Norgestrel (>90%), TRC

CAS: 100021-05-4 Molecular Formula: C21 H28 O2 Molecular Weight (g/mol): 312.45 Synonym: Levonorgestrel Imp. P (EP),13-Ethyl-17-hydroxy-18,19-dinor-17α-pregn-5-en-20-yn-3-one (δ5-Levonorgestrel) IUPAC Name: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one SMILES: CC[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C

CAS 100021-05-4
Molecular Weight (g/mol) 312.45
SMILES CC[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
Synonym Levonorgestrel Imp. P (EP),13-Ethyl-17-hydroxy-18,19-dinor-17α-pregn-5-en-20-yn-3-one (δ5-Levonorgestrel)
IUPAC Name (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Formula C21 H28 O2
9

Androsterone, 97%

CAS: 53-41-8 Molecular Formula: C19H30O2 Molecular Weight (g/mol): 290.447 InChI Key: QGXBDMJGAMFCBF-HLUDHZFRSA-N Synonym: androsterone,androkinine,androtine,5alpha-androsterone,3alpha-hydroxy-5alpha-androstan-17-one,atromide ici,3-epihydroxyetioallocholan-17-one,3alpha-hydroxyetioallocholan-17-one,5alpha-androstane-3alpha-ol-17-one,cis-androsterone PubChem CID: 5879 ChEBI: CHEBI:16032 IUPAC Name: (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O

PubChem CID 5879
CAS 53-41-8
Molecular Weight (g/mol) 290.447
ChEBI CHEBI:16032
SMILES CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O
Synonym androsterone,androkinine,androtine,5alpha-androsterone,3alpha-hydroxy-5alpha-androstan-17-one,atromide ici,3-epihydroxyetioallocholan-17-one,3alpha-hydroxyetioallocholan-17-one,5alpha-androstane-3alpha-ol-17-one,cis-androsterone
IUPAC Name (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
InChI Key QGXBDMJGAMFCBF-HLUDHZFRSA-N
Molecular Formula C19H30O2