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

Systemtic Name: (9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-oxidanyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one Openeye Name: (9R,10S,13R,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one CAS Name: (9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one IUPAC Name: (9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one Traditional Name: (9R,10S,13R,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one Formula: C27H42O2 MolecularWeight: 398.62118

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)C1CC(=O)C2=C3CCC4CC(CCC4(C3CCC12C)C)O

Isomeric SMILES

C[C@H](CCC=C(C)C)[C@H]1CC(=O)C2=C3CCC4CC(CC[C@@]4([C@H]3CC[C@]12C)C)O

InChI

InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)23-16-24(29)25-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h7,18-20,22-23,28H,6,8-16H2,1-5H3/t18-,19?,20?,22+,23-,26+,27-/m1/s1