(3S,5S,8R,9S,10S,13S,14S,16E,17S)-16-(cyclopentylmethylidene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol

Systemtic Name: (3S,5S,8R,9S,10S,13S,14S,16E,17S)-16-(cyclopentylmethylidene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol Openeye Name: (3S,5S,8R,9S,10S,13S,14S,16E,17S)-16-(cyclopentylmethylene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol CAS Name: (3S,5S,8R,9S,10S,13S,14S,16E,17S)-16-(cyclopentylmethylidene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol IUPAC Name: (3S,5S,8R,9S,10S,13S,14S,16E,17S)-16-(cyclopentylmethylidene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol Traditional Name: (3S,5S,8R,9S,10S,13S,14S,16E,17S)-16-(cyclopentylmethylene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol Formula: C25H35O2 MolecularWeight: 367.5442

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3CC(=C[C]5[CH][CH][CH][CH]5)C4O)C)O

Isomeric SMILES

C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\[C]5[CH][CH][CH][CH]5)/[C@@H]4O)C)O

InChI

InChI=1S/C25H35O2/c1-24-11-9-19(26)15-18(24)7-8-20-21(24)10-12-25(2)22(20)14-17(23(25)27)13-16-5-3-4-6-16/h3-6,13,18-23,26-27H,7-12,14-15H2,1-2H3/t18-,19-,20+,21-,22-,23-,24-,25-/m0/s1