(3S,10R,13S)-10,13-dimethyl-17-[(2S)-2-oxidanyl-4-phenyl-butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Systemtic Name: (3S,10R,13S)-10,13-dimethyl-17-[(2S)-2-oxidanyl-4-phenyl-butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Openeye Name: (3S,10R,13S)-17-[(1S)-1-hydroxy-1-methyl-3-phenyl-propyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol CAS Name: (3S,10R,13S)-17-[(2S)-2-hydroxy-4-phenylbutan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol IUPAC Name: (3S,10R,13S)-17-[(2S)-2-hydroxy-4-phenylbutan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Traditional Name: (3S,10R,13S)-17-[(1S)-1-hydroxy-1-methyl-3-phenyl-propyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Formula: C29H42O2 MolecularWeight: 422.64258

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2C(C)(CCC4=CC=CC=C4)O)CC=C5C3(CCC(C5)O)C

Isomeric SMILES

C[C@]12CCC3C(C1CCC2[C@](C)(CCC4=CC=CC=C4)O)CC=C5[C@@]3(CC[C@@H](C5)O)C

InChI

InChI=1S/C29H42O2/c1-27-16-14-22(30)19-21(27)9-10-23-24-11-12-26(28(24,2)17-15-25(23)27)29(3,31)18-13-20-7-5-4-6-8-20/h4-9,22-26,30-31H,10-19H2,1-3H3/t22-,23?,24?,25?,26?,27-,28-,29-/m0/s1