(9S,11S,13S,14S,17S)-8-ethenyl-13-methyl-11-(6-piperidin-1-ylhexyl)-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Systemtic Name: (9S,11S,13S,14S,17S)-8-ethenyl-13-methyl-11-(6-piperidin-1-ylhexyl)-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Openeye Name: (9S,11S,13S,14S,17S)-13-methyl-11-[6-(1-piperidyl)hexyl]-8-vinyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol CAS Name: (9S,11S,13S,14S,17S)-8-ethenyl-13-methyl-11-[6-(1-piperidinyl)hexyl]-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol IUPAC Name: (9S,11S,13S,14S,17S)-8-ethenyl-13-methyl-11-(6-piperidin-1-ylhexyl)-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Traditional Name: (9S,11S,13S,14S,17S)-13-methyl-11-(6-piperidinohexyl)-8-vinyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Formula: C31H47NO2 MolecularWeight: 465.71038

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C4=C(CCC3(C1CCC2O)C=C)C=C(C=C4)O)CCCCCCN5CCCCC5

Isomeric SMILES

C[C@]12C[C@@H]([C@@H]3C4=C(CCC3([C@@H]1CC[C@@H]2O)C=C)C=C(C=C4)O)CCCCCCN5CCCCC5

InChI

InChI=1S/C31H47NO2/c1-3-31-17-16-23-21-25(33)12-13-26(23)29(31)24(22-30(2)27(31)14-15-28(30)34)11-7-4-5-8-18-32-19-9-6-10-20-32/h3,12-13,21,24,27-29,33-34H,1,4-11,14-20,22H2,2H3/t24-,27+,28-,29+,30-,31?/m0/s1