(13S,17S)-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid

Systemtic Name: (13S,17S)-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid Openeye Name: (13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid CAS Name: (13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid IUPAC Name: (13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid Traditional Name: (13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid Formula: C19H24O3 MolecularWeight: 300.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)C(=O)O

Isomeric SMILES

C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)C(=O)O

InChI

InChI=1S/C19H24O3/c1-19-9-8-14-13-4-3-12(18(21)22)10-11(13)2-5-15(14)16(19)6-7-17(19)20/h3-4,10,14-17,20H,2,5-9H2,1H3,(H,21,22)/t14?,15?,16?,17-,19-/m0/s1