methyl 10,13-dimethyl-3-oxidanyl-7-oxidanylidene-17-pentan-2-yl-2,3,4,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-5-carboxylate

Systemtic Name: methyl 10,13-dimethyl-3-oxidanyl-7-oxidanylidene-17-pentan-2-yl-2,3,4,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-5-carboxylate Openeye Name: methyl 3-hydroxy-10,13-dimethyl-17-(1-methylbutyl)-7-oxo-2,3,4,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-5-carboxylate CAS Name: 3-hydroxy-10,13-dimethyl-7-oxo-17-pentan-2-yl-2,3,4,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-5-carboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-10,13-dimethyl-7-oxo-17-pentan-2-yl-2,3,4,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-5-carboxylate Traditional Name: 3-hydroxy-7-keto-10,13-dimethyl-17-(1-methylbutyl)-2,3,4,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-5-carboxylic acid methyl ester Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1CCC2C1(CCC3C2C(=O)CC4(C3(CCC(C4)O)C)C(=O)OC)C

Isomeric SMILES

CCCC(C)C1CCC2C1(CCC3C2C(=O)CC4(C3(CCC(C4)O)C)C(=O)OC)C

InChI

InChI=1S/C26H42O4/c1-6-7-16(2)18-8-9-19-22-20(11-12-24(18,19)3)25(4)13-10-17(27)14-26(25,15-21(22)28)23(29)30-5/h16-20,22,27H,6-15H2,1-5H3