[6,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxidanyl-2,3,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [6,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxidanyl-2,3,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [17-(1,5-dimethylhexyl)-6-hydroxy-6,13-dimethyl-2,3,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [6-hydroxy-6,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [6-hydroxy-6,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [17-(1,5-dimethylhexyl)-6-hydroxy-6,13-dimethyl-2,3,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C29H50O3 MolecularWeight: 446.7055

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4C3CCC(C4)OC(=O)C)(C)O)C

Isomeric SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4C3CCC(C4)OC(=O)C)(C)O)C

InChI

InChI=1S/C29H50O3/c1-18(2)8-7-9-19(3)25-12-13-26-24-17-29(6,31)27-16-21(32-20(4)30)10-11-23(27)22(24)14-15-28(25,26)5/h18-19,21-27,31H,7-17H2,1-6H3