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

Systemtic Name: methyl (8aR,9S)-3-methoxy-4-oxidanyl-6-oxidanylidene-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylate Openeye Name: methyl (8aR,9S)-4-hydroxy-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylate CAS Name: (8aR,9S)-4-hydroxy-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid methyl ester IUPAC Name: methyl (8aR,9S)-4-hydroxy-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylate Traditional Name: (8aR,9S)-4-hydroxy-6-keto-3-methoxy-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid methyl ester Formula: C17H18O5 MolecularWeight: 302.32182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O5/c1-21-14-6-3-9-7-13(17(20)22-2)11-5-4-10(18)8-12(11)15(9)16(14)19/h3,6,8,11,13,19H,4-5,7H2,1-2H3/t11-,13-/m0/s1