[(1R,5R,6S)-5,6-diacetyloxy-3-(3,4-dimethoxyphenyl)carbonyl-cyclohex-3-en-1-yl] ethanoate

Systemtic Name: [(1R,5R,6S)-5,6-diacetyloxy-3-(3,4-dimethoxyphenyl)carbonyl-cyclohex-3-en-1-yl] ethanoate Openeye Name: [(1R,5R,6S)-5,6-diacetoxy-3-(3,4-dimethoxybenzoyl)cyclohex-3-en-1-yl] acetate CAS Name: acetic acid [(1R,5R,6S)-5,6-diacetyloxy-3-[(3,4-dimethoxyphenyl)-oxomethyl]-1-cyclohex-3-enyl] ester IUPAC Name: [(1R,5R,6S)-5,6-diacetyloxy-3-(3,4-dimethoxybenzoyl)cyclohex-3-en-1-yl] acetate Traditional Name: acetic acid [(1R,5R,6S)-5,6-diacetoxy-3-veratroyl-cyclohex-3-en-1-yl] ester Formula: C21H24O9 MolecularWeight: 420.40986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(=CC(C1OC(=O)C)OC(=O)C)C(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(=O)O[C@@H]1CC(=C[C@H]([C@H]1OC(=O)C)OC(=O)C)C(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H24O9/c1-11(22)28-18-9-15(10-19(29-12(2)23)21(18)30-13(3)24)20(25)14-6-7-16(26-4)17(8-14)27-5/h6-9,18-19,21H,10H2,1-5H3/t18-,19-,21-/m1/s1