(5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-butan-2-yl]-10,13-dimethyl-12-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-butan-2-yl]-10,13-dimethyl-12-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one Openeye Name: (5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-17-[(1R)-1-methylpropyl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one CAS Name: (5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-butan-2-yl]-12-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-butan-2-yl]-12-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one Traditional Name: (5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-17-[(1R)-1-methylpropyl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one Formula: C23H38O2 MolecularWeight: 346.54662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1CCC2C1(C(CC3C2CCC4C3(CCC(=O)C4)C)O)C

Isomeric SMILES

CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)O)C

InChI

InChI=1S/C23H38O2/c1-5-14(2)18-8-9-19-17-7-6-15-12-16(24)10-11-22(15,3)20(17)13-21(25)23(18,19)4/h14-15,17-21,25H,5-13H2,1-4H3/t14-,15-,17+,18-,19+,20+,21+,22+,23-/m1/s1