(1R,4aR)-1,4a-dimethyl-6,10-bis(oxidanyl)-9-oxidanylidene-7-propan-2-yl-3,4-dihydro-2H-phenanthrene-1-carboxylic acid

Systemtic Name: (1R,4aR)-1,4a-dimethyl-6,10-bis(oxidanyl)-9-oxidanylidene-7-propan-2-yl-3,4-dihydro-2H-phenanthrene-1-carboxylic acid Openeye Name: (1R,4aR)-6,10-dihydroxy-7-isopropyl-1,4a-dimethyl-9-oxo-3,4-dihydro-2H-phenanthrene-1-carboxylic acid CAS Name: (1R,4aR)-6,10-dihydroxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthrene-1-carboxylic acid IUPAC Name: (1R,4aR)-6,10-dihydroxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthrene-1-carboxylic acid Traditional Name: (1R,4aR)-6,10-dihydroxy-7-isopropyl-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:

CC(C)C1=C(C=C2C(=C1)C(=O)C(=C3C2(CCCC3(C)C(=O)O)C)O)O

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1)C(=O)C(=C3[C@@]2(CCC[C@@]3(C)C(=O)O)C)O)O

InChI

InChI=1S/C20H24O5/c1-10(2)11-8-12-13(9-14(11)21)19(3)6-5-7-20(4,18(24)25)17(19)16(23)15(12)22/h8-10,21,23H,5-7H2,1-4H3,(H,24,25)/t19-,20-/m1/s1