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

Systemtic Name: (3S,5S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethyl-5-oxidanyl-heptan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one Openeye Name: (3S,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-17-[(1R,4R)-4-hydroxy-1,4,5-trimethyl-hexyl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one CAS Name: (3S,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-17-[(2R,5R)-5-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one IUPAC Name: (3S,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-17-[(2R,5R)-5-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one Traditional Name: (3S,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-17-[(1R,4R)-4-hydroxy-1,4,5-trimethyl-hexyl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one Formula: C28H48O3 MolecularWeight: 432.67892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(CCC(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C28H48O3/c1-17(2)28(6,31)14-9-18(3)21-7-8-22-20-16-25(30)24-15-19(29)10-12-27(24,5)23(20)11-13-26(21,22)4/h17-24,29,31H,7-16H2,1-6H3/t18-,19+,20+,21-,22+,23+,24-,26-,27-,28-/m1/s1