[10,13-dimethyl-17-(6-methylheptan-2-yl)-7-oxidanylidene-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 4-methylpentanoate

Systemtic Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-7-oxidanylidene-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 4-methylpentanoate Openeye Name: [17-(1,5-dimethylhexyl)-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [17-(1,5-dimethylhexyl)-7-keto-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C33H54O3 MolecularWeight: 498.78006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H54O3/c1-21(2)9-8-10-23(5)26-12-13-27-31-28(16-18-33(26,27)7)32(6)17-15-25(19-24(32)20-29(31)34)36-30(35)14-11-22(3)4/h20-23,25-28,31H,8-19H2,1-7H3