[(3S,10S,13R,17S)-10,13-dimethyl-17-octyl-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate

Systemtic Name: [(3S,10S,13R,17S)-10,13-dimethyl-17-octyl-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Openeye Name: [(3S,10S,13R,17S)-10,13-dimethyl-17-octyl-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate CAS Name: benzoic acid [(3S,10S,13R,17S)-10,13-dimethyl-17-octyl-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,10S,13R,17S)-10,13-dimethyl-17-octyl-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Traditional Name: benzoic acid [(3S,10S,13R,17S)-10,13-dimethyl-17-octyl-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C34H48O2 MolecularWeight: 488.74372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CC=C2C1(CCC3C2=CCC4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CCCCCCCC[C@H]1CC=C2[C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C34H48O2/c1-4-5-6-7-8-12-15-26-17-19-30-29-18-16-27-24-28(36-32(35)25-13-10-9-11-14-25)20-22-34(27,3)31(29)21-23-33(26,30)2/h9-11,13-14,18-19,26-28,31H,4-8,12,15-17,20-24H2,1-3H3/t26-,27?,28-,31?,33+,34-/m0/s1