9,11-bis(chloranyl)-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid

Systemtic Name: 9,11-bis(chloranyl)-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid Openeye Name: 9,11-dichloro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid CAS Name: 9,11-dichloro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid IUPAC Name: 9,11-dichloro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid Traditional Name: 9,11-dichloro-17-hydroxy-3-keto-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid Formula: C20H24Cl2O4 MolecularWeight: 399.30816

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3(C(C1CCC2(C(=O)O)O)CCC4=CC(=O)C=CC43C)Cl)Cl

Isomeric SMILES

CC12CC(C3(C(C1CCC2(C(=O)O)O)CCC4=CC(=O)C=CC43C)Cl)Cl

InChI

InChI=1S/C20H24Cl2O4/c1-17-7-5-12(23)9-11(17)3-4-14-13-6-8-19(26,16(24)25)18(13,2)10-15(21)20(14,17)22/h5,7,9,13-15,26H,3-4,6,8,10H2,1-2H3,(H,24,25)