(3Z)-3-(10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)propanoic acid

Systemtic Name: (3Z)-3-(10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)propanoic acid Openeye Name: (3Z)-3-(11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)propanoic acid CAS Name: (3Z)-3-(11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)propanoic acid IUPAC Name: (3Z)-3-(11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)propanoic acid Traditional Name: (3Z)-3-(11-hydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)propionic acid Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1CCC2=CCC(=O)O)CCC4=CC(=O)C=CC34C)O

Isomeric SMILES

CC1\2CC(C3C(C1CC/C2=C/CC(=O)O)CCC4=CC(=O)C=CC34C)O

InChI

InChI=1S/C22H28O4/c1-21-10-9-15(23)11-14(21)3-6-16-17-7-4-13(5-8-19(25)26)22(17,2)12-18(24)20(16)21/h5,9-11,16-18,20,24H,3-4,6-8,12H2,1-2H3,(H,25,26)/b13-5-