2-[(1S,4aR)-8-methoxy-1,4a,6-trimethyl-7-oxidanyl-3-oxidanylidene-4,9-dihydro-2H-phenanthren-1-yl]ethanoic acid

Systemtic Name: 2-[(1S,4aR)-8-methoxy-1,4a,6-trimethyl-7-oxidanyl-3-oxidanylidene-4,9-dihydro-2H-phenanthren-1-yl]ethanoic acid Openeye Name: 2-[(1S,4aR)-7-hydroxy-8-methoxy-1,4a,6-trimethyl-3-oxo-4,9-dihydro-2H-phenanthren-1-yl]acetic acid CAS Name: 2-[(1S,4aR)-7-hydroxy-8-methoxy-1,4a,6-trimethyl-3-oxo-4,9-dihydro-2H-phenanthren-1-yl]acetic acid IUPAC Name: 2-[(1S,4aR)-7-hydroxy-8-methoxy-1,4a,6-trimethyl-3-oxo-4,9-dihydro-2H-phenanthren-1-yl]acetic acid Traditional Name: 2-[(1S,4aR)-7-hydroxy-3-keto-8-methoxy-1,4a,6-trimethyl-4,9-dihydro-2H-phenanthren-1-yl]acetic acid Formula: C20H24O5 MolecularWeight: 344.40156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CC=C3C(CC(=O)CC3(C2=C1)C)(C)CC(=O)O)OC)O

Isomeric SMILES

CC1=C(C(=C2CC=C3[C@](CC(=O)C[C@]3(C2=C1)C)(C)CC(=O)O)OC)O

InChI

InChI=1S/C20H24O5/c1-11-7-14-13(18(25-4)17(11)24)5-6-15-19(2,10-16(22)23)8-12(21)9-20(14,15)3/h6-7,24H,5,8-10H2,1-4H3,(H,22,23)/t19-,20-/m0/s1