[10,13-dimethyl-17-(6-methylheptan-2-yl)-15-oxidanylidene-1,2,3,4,5,6,9,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthren-1-yl] benzoate

Systemtic Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-15-oxidanylidene-1,2,3,4,5,6,9,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthren-1-yl] benzoate Openeye Name: [17-(1,5-dimethylhexyl)-10,13-dimethyl-15-oxo-1,2,3,4,5,6,9,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthren-1-yl] benzoate CAS Name: benzoic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-15-oxo-1,2,3,4,5,6,9,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthren-1-yl] ester IUPAC Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-15-oxo-1,2,3,4,5,6,9,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthren-1-yl] benzoate Traditional Name: benzoic acid [17-(1,5-dimethylhexyl)-15-keto-10,13-dimethyl-1,2,3,4,5,6,9,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthren-1-yl] ester Formula: C34H48O3 MolecularWeight: 504.74312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CC(=O)C2C1(CCC3C2=CCC4C3(C(CCC4)OC(=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC(C)CCCC(C)C1CC(=O)C2C1(CCC3C2=CCC4C3(C(CCC4)OC(=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C34H48O3/c1-22(2)11-9-12-23(3)28-21-29(35)31-26-18-17-25-15-10-16-30(37-32(36)24-13-7-6-8-14-24)34(25,5)27(26)19-20-33(28,31)4/h6-8,13-14,18,22-23,25,27-28,30-31H,9-12,15-17,19-21H2,1-5H3