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

Systemtic Name: ethyl (8aR,9S)-3-methoxy-4-oxidanyl-6-oxidanylidene-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C18H20O5 MolecularWeight: 316.3484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=C(C3=CC(=O)CCC13)C(=C(C=C2)OC)O

Isomeric SMILES

CCOC(=O)[C@H]1CC2=C(C3=CC(=O)CC[C@H]13)C(=C(C=C2)OC)O

InChI

InChI=1S/C18H20O5/c1-3-23-18(21)14-8-10-4-7-15(22-2)17(20)16(10)13-9-11(19)5-6-12(13)14/h4,7,9,12,14,20H,3,5-6,8H2,1-2H3/t12-,14-/m0/s1