ethyl (1S,2S,3R,5S)-2-(furan-3-yl)-5-methyl-2-oxidanyl-4-oxidanylidene-3-phenylmethoxy-cyclohexane-1-carboxylate

Systemtic Name: ethyl (1S,2S,3R,5S)-2-(furan-3-yl)-5-methyl-2-oxidanyl-4-oxidanylidene-3-phenylmethoxy-cyclohexane-1-carboxylate Openeye Name: ethyl (1S,2S,3R,5S)-3-benzyloxy-2-(3-furyl)-2-hydroxy-5-methyl-4-oxo-cyclohexanecarboxylate CAS Name: (1S,2S,3R,5S)-2-(3-furanyl)-2-hydroxy-5-methyl-4-oxo-3-phenylmethoxy-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S,3R,5S)-2-(furan-3-yl)-2-hydroxy-5-methyl-4-oxo-3-phenylmethoxycyclohexane-1-carboxylate Traditional Name: (1S,2S,3R,5S)-3-benzoxy-2-(3-furyl)-2-hydroxy-4-keto-5-methyl-cyclohexanecarboxylic acid ethyl ester Formula: C21H24O6 MolecularWeight: 372.41166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C(=O)C(C1(C2=COC=C2)O)OCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H](C(=O)[C@@H]([C@]1(C2=COC=C2)O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C21H24O6/c1-3-26-20(23)17-11-14(2)18(22)19(21(17,24)16-9-10-25-13-16)27-12-15-7-5-4-6-8-15/h4-10,13-14,17,19,24H,3,11-12H2,1-2H3/t14-,17+,19-,21+/m0/s1