(17E)-17-[1,2-bis(oxidanyl)ethylidene]-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one

Systemtic Name: (17E)-17-[1,2-bis(oxidanyl)ethylidene]-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one Openeye Name: (17E)-17-(1,2-dihydroxyethylidene)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one CAS Name: (17E)-17-(1,2-dihydroxyethylidene)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one IUPAC Name: (17E)-17-(1,2-dihydroxyethylidene)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one Traditional Name: (17E)-17-(1,2-dihydroxyethylidene)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC=C3C(C1CCC2=C(CO)O)CCC4=CC(=O)C=CC43C

Isomeric SMILES

CC1\2CC=C3C(C1CC/C2=C(/CO)\O)CCC4=CC(=O)C=CC43C

InChI

InChI=1S/C21H26O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h7-9,11,15-16,22,24H,3-6,10,12H2,1-2H3/b19-18+