[(3S,7S,8S,9S,10R,13R,14S,17R)-7-cyano-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate

Systemtic Name: [(3S,7S,8S,9S,10R,13R,14S,17R)-7-cyano-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Openeye Name: [(3S,7S,8S,9S,10R,13R,14S,17R)-7-cyano-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate CAS Name: benzoic acid [(3S,7S,8S,9S,10R,13R,14S,17R)-7-cyano-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,7S,8S,9S,10R,13R,14S,17R)-7-cyano-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Traditional Name: benzoic acid [(3S,7S,8S,9S,10R,13R,14S,17R)-7-cyano-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C35H49NO2 MolecularWeight: 515.76906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C#N)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)C#N)C

InChI

InChI=1S/C35H49NO2/c1-23(2)10-9-11-24(3)29-14-15-30-32-26(22-36)20-27-21-28(38-33(37)25-12-7-6-8-13-25)16-18-34(27,4)31(32)17-19-35(29,30)5/h6-8,12-13,20,23-24,26,28-32H,9-11,14-19,21H2,1-5H3/t24-,26+,28+,29-,30+,31+,32+,34+,35-/m1/s1