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

Systemtic Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-1-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylpentanoate Openeye Name: [17-(1,5-dimethylhexyl)-1-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [1-hydroxy-10,13-dimethyl-17-(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: [1-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [17-(1,5-dimethylhexyl)-1-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C33H56O3 MolecularWeight: 500.79594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(C(CC(C4)OC(=O)CCC(C)C)O)C)C

Isomeric SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(C(CC(C4)OC(=O)CCC(C)C)O)C)C

InChI

InChI=1S/C33H56O3/c1-21(2)9-8-10-23(5)27-14-15-28-26-13-12-24-19-25(36-31(35)16-11-22(3)4)20-30(34)33(24,7)29(26)17-18-32(27,28)6/h12,21-23,25-30,34H,8-11,13-20H2,1-7H3