(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5,6-bis(oxidanyl)heptan-2-yl]-7-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,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5,6-bis(oxidanyl)heptan-2-yl]-7-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,13R,14S,17R)-17-[(1R)-4,5-dihydroxy-1,5-dimethyl-hexyl]-7-hydroxy-10,13-dimethyl-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,13R,14S,17R)-17-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7-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,13R,14S,17R)-17-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7-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,13R,14S,17R)-17-[(1R)-4,5-dihydroxy-1,5-dimethyl-hexyl]-7-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one Formula: C27H46O4 MolecularWeight: 434.65174

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C(C)(C)O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(=O)C4)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H46O4/c1-16(6-9-23(30)25(2,3)31)19-7-8-20-24-21(11-13-27(19,20)5)26(4)12-10-18(28)14-17(26)15-22(24)29/h16-17,19-24,29-31H,6-15H2,1-5H3/t16-,17+,19-,20+,21+,22?,23?,24+,26+,27-/m1/s1