[3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-15-oxidanyl-1,2,4,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate

Systemtic Name: [3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-15-oxidanyl-1,2,4,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate Openeye Name: [17-(1,5-dimethylhexyl)-15-hydroxy-3-methoxy-10,13-dimethyl-1,2,4,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate CAS Name: benzoic acid [15-hydroxy-3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [15-hydroxy-3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate Traditional Name: benzoic acid [17-(1,5-dimethylhexyl)-15-hydroxy-3-methoxy-10,13-dimethyl-1,2,4,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C35H52O4 MolecularWeight: 536.78498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CC(C2=C3CCC4CC(CCC4(C3CCC12C)C)(OC)OC(=O)C5=CC=CC=C5)O

Isomeric SMILES

CC(C)CCCC(C)C1CC(C2=C3CCC4CC(CCC4(C3CCC12C)C)(OC)OC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C35H52O4/c1-23(2)11-10-12-24(3)29-21-30(36)31-27-16-15-26-22-35(38-6,39-32(37)25-13-8-7-9-14-25)20-19-33(26,4)28(27)17-18-34(29,31)5/h7-9,13-14,23-24,26,28-30,36H,10-12,15-22H2,1-6H3