3-(2,4b-dimethyl-2-oxidanyl-7-oxidanylidene-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-1-yl)propanoic acid

Systemtic Name: 3-(2,4b-dimethyl-2-oxidanyl-7-oxidanylidene-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-1-yl)propanoic acid Openeye Name: 3-(2-hydroxy-2,4b-dimethyl-7-oxo-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-1-yl)propanoic acid CAS Name: 3-(2-hydroxy-2,4b-dimethyl-7-oxo-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-1-yl)propanoic acid IUPAC Name: 3-(2-hydroxy-2,4b-dimethyl-7-oxo-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-1-yl)propanoic acid Traditional Name: 3-(2-hydroxy-7-keto-2,4b-dimethyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-1-yl)propionic acid Formula: C19H26O4 MolecularWeight: 318.40734

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(C1CCC(=O)O)CCC3=CC(=O)C=CC23C)O

Isomeric SMILES

CC1(CCC2C(C1CCC(=O)O)CCC3=CC(=O)C=CC23C)O

InChI

InChI=1S/C19H26O4/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2,23)16(14)5-6-17(21)22/h7,9,11,14-16,23H,3-6,8,10H2,1-2H3,(H,21,22)