(13-ethyl-9-methyl-3-oxidanylidene-17-propa-1,2-dienyl-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) 3-oxidanylidenebutanoate

Systemtic Name: (13-ethyl-9-methyl-3-oxidanylidene-17-propa-1,2-dienyl-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) 3-oxidanylidenebutanoate Openeye Name: (13-ethyl-9-methyl-3-oxo-17-propa-1,2-dienyl-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) 3-oxobutanoate CAS Name: 3-oxobutanoic acid (13-ethyl-9-methyl-3-oxo-17-propa-1,2-dienyl-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) ester IUPAC Name: (13-ethyl-9-methyl-3-oxo-17-propa-1,2-dienyl-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) 3-oxobutanoate Traditional Name: 3-ketobutyric acid (13-ethyl-3-keto-9-methyl-17-propa-1,2-dienyl-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) ester Formula: C27H36O4 MolecularWeight: 424.57234

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC3(C(C1CCC2(C=C=C)OC(=O)CC(=O)C)CCC4=CC(=O)CCC43)C

Isomeric SMILES

CCC12CCC3(C(C1CCC2(C=C=C)OC(=O)CC(=O)C)CCC4=CC(=O)CCC43)C

InChI

InChI=1S/C27H36O4/c1-5-12-27(31-24(30)16-18(3)28)13-11-23-22-9-7-19-17-20(29)8-10-21(19)25(22,4)14-15-26(23,27)6-2/h12,17,21-23H,1,6-11,13-16H2,2-4H3