[1-acetyloxy-10,13-dimethyl-17-(6-methyl-5-oxidanyl-heptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [1-acetyloxy-10,13-dimethyl-17-(6-methyl-5-oxidanyl-heptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [1-acetoxy-17-(4-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [1-acetyloxy-17-(5-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [1-acetyloxy-17-(5-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [1-acetoxy-17-(4-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C31H48O5 MolecularWeight: 500.70982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C)C1CCC2C1(CCC3C2=CC=C4C3(C(CC(C4)OC(=O)C)OC(=O)C)C)C)O

Isomeric SMILES

CC(C)C(CCC(C)C1CCC2C1(CCC3C2=CC=C4C3(C(CC(C4)OC(=O)C)OC(=O)C)C)C)O

InChI

InChI=1S/C31H48O5/c1-18(2)28(34)13-8-19(3)25-11-12-26-24-10-9-22-16-23(35-20(4)32)17-29(36-21(5)33)31(22,7)27(24)14-15-30(25,26)6/h9-10,18-19,23,25-29,34H,8,11-17H2,1-7H3