(8aR,9S)-3-methoxy-4-oxidanyl-6-oxidanylidene-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid

Systemtic Name: (8aR,9S)-3-methoxy-4-oxidanyl-6-oxidanylidene-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid Openeye Name: (8aR,9S)-4-hydroxy-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid CAS Name: (8aR,9S)-4-hydroxy-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid IUPAC Name: (8aR,9S)-4-hydroxy-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid Traditional Name: (8aR,9S)-4-hydroxy-6-keto-3-methoxy-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid Formula: C16H16O5 MolecularWeight: 288.29524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CC(C3C2=CC(=O)CC3)C(=O)O)C=C1)O

Isomeric SMILES

COC1=C(C2=C(C[C@@H]([C@@H]3C2=CC(=O)CC3)C(=O)O)C=C1)O

InChI

InChI=1S/C16H16O5/c1-21-13-5-2-8-6-12(16(19)20)10-4-3-9(17)7-11(10)14(8)15(13)18/h2,5,7,10,12,18H,3-4,6H2,1H3,(H,19,20)/t10-,12-/m0/s1