2-[9-chloranyl-10,13-dimethyl-16-methylidene-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[9-chloranyl-10,13-dimethyl-16-methylidene-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-(9-chloro-11,17-dihydroxy-10,13-dimethyl-16-methylene-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-acetic acid CAS Name: 2-(9-chloro-11,17-dihydroxy-10,13-dimethyl-16-methylene-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid IUPAC Name: 2-(9-chloro-11,17-dihydroxy-10,13-dimethyl-16-methylidene-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid Traditional Name: 2-(9-chloro-11,17-dihydroxy-3-keto-10,13-dimethyl-16-methylene-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-keto-acetic acid Formula: C22H25ClO6 MolecularWeight: 420.8833

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3(C(C1CC(=C)C2(C(=O)C(=O)O)O)CCC4=CC(=O)C=CC43C)Cl)O

Isomeric SMILES

CC12CC(C3(C(C1CC(=C)C2(C(=O)C(=O)O)O)CCC4=CC(=O)C=CC43C)Cl)O

InChI

InChI=1S/C22H25ClO6/c1-11-8-15-14-5-4-12-9-13(24)6-7-19(12,2)21(14,23)16(25)10-20(15,3)22(11,29)17(26)18(27)28/h6-7,9,14-16,25,29H,1,4-5,8,10H2,2-3H3,(H,27,28)