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

Systemtic Name: (17-ethanoyl-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-1-yl) hexanoate Openeye Name: (17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-1-yl) hexanoate CAS Name: hexanoic acid (17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-1-yl) ester IUPAC Name: (17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-1-yl) hexanoate Traditional Name: hexanoic acid (17-acetyl-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-1-yl) ester Formula: C27H40O4 MolecularWeight: 428.6041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1CC(=O)C=C2C1(C3CCC4(C(C3CC2)CCC4C(=O)C)C)C

Isomeric SMILES

CCCCCC(=O)OC1CC(=O)C=C2C1(C3CCC4(C(C3CC2)CCC4C(=O)C)C)C

InChI

InChI=1S/C27H40O4/c1-5-6-7-8-25(30)31-24-16-19(29)15-18-9-10-20-22-12-11-21(17(2)28)26(22,3)14-13-23(20)27(18,24)4/h15,20-24H,5-14,16H2,1-4H3