(9S,14S)-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid

Systemtic Name: (9S,14S)-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid Openeye Name: (9S,14S)-17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid CAS Name: (9S,14S)-17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid IUPAC Name: (9S,14S)-17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid Traditional Name: (9S,14S)-17-hydroxy-3-keto-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid Formula: C20H26O4 MolecularWeight: 330.41804

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC4(C(=O)O)O)C

Isomeric SMILES

CC12CCC(=O)C=C1C=CC3[C@@H]2CCC4([C@H]3CCC4(C(=O)O)O)C

InChI

InChI=1S/C20H26O4/c1-18-8-5-13(21)11-12(18)3-4-14-15(18)6-9-19(2)16(14)7-10-20(19,24)17(22)23/h3-4,11,14-16,24H,5-10H2,1-2H3,(H,22,23)/t14?,15-,16-,18?,19?,20?/m0/s1