(1R,4aR)-1,4a-dimethyl-10-oxidanyl-9-oxidanylidene-7-(2-oxidanylpropan-2-yl)-3,4-dihydro-2H-phenanthrene-1-carboxylic acid

Systemtic Name: (1R,4aR)-1,4a-dimethyl-10-oxidanyl-9-oxidanylidene-7-(2-oxidanylpropan-2-yl)-3,4-dihydro-2H-phenanthrene-1-carboxylic acid Openeye Name: (1R,4aR)-10-hydroxy-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-9-oxo-3,4-dihydro-2H-phenanthrene-1-carboxylic acid CAS Name: (1R,4aR)-10-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4-dihydro-2H-phenanthrene-1-carboxylic acid IUPAC Name: (1R,4aR)-10-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4-dihydro-2H-phenanthrene-1-carboxylic acid Traditional Name: (1R,4aR)-10-hydroxy-7-(1-hydroxy-1-methyl-ethyl)-9-keto-1,4a-dimethyl-3,4-dihydro-2H-phenanthrene-1-carboxylic acid Formula: C20H24O5 MolecularWeight: 344.40156

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1=C(C(=O)C3=C2C=CC(=C3)C(C)(C)O)O)(C)C(=O)O

Isomeric SMILES

C[C@]12CCC[C@@](C1=C(C(=O)C3=C2C=CC(=C3)C(C)(C)O)O)(C)C(=O)O

InChI

InChI=1S/C20H24O5/c1-18(2,25)11-6-7-13-12(10-11)14(21)15(22)16-19(13,3)8-5-9-20(16,4)17(23)24/h6-7,10,22,25H,5,8-9H2,1-4H3,(H,23,24)/t19-,20-/m1/s1