(2R,3S,4S)-4-[(R)-1,3-benzodioxol-5-yl(oxidanyl)methyl]-2-(3,4-dimethoxyphenyl)-5-oxidanylidene-oxolane-3-carboxylic acid

Systemtic Name: (2R,3S,4S)-4-[(R)-1,3-benzodioxol-5-yl(oxidanyl)methyl]-2-(3,4-dimethoxyphenyl)-5-oxidanylidene-oxolane-3-carboxylic acid Openeye Name: (2R,3S,4S)-4-[(R)-1,3-benzodioxol-5-yl(hydroxy)methyl]-2-(3,4-dimethoxyphenyl)-5-oxo-tetrahydrofuran-3-carboxylic acid CAS Name: (2R,3S,4S)-4-[(R)-1,3-benzodioxol-5-yl(hydroxy)methyl]-2-(3,4-dimethoxyphenyl)-5-oxo-3-oxolanecarboxylic acid IUPAC Name: (2R,3S,4S)-4-[(R)-1,3-benzodioxol-5-yl(hydroxy)methyl]-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxylic acid Traditional Name: (2R,3S,4S)-4-[(R)-1,3-benzodioxol-5-yl(hydroxy)methyl]-2-(3,4-dimethoxyphenyl)-5-keto-tetrahydrofuran-3-carboxylic acid Formula: C21H20O9 MolecularWeight: 416.3781

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(C(=O)O2)C(C3=CC4=C(C=C3)OCO4)O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2[C@H]([C@H](C(=O)O2)[C@H](C3=CC4=C(C=C3)OCO4)O)C(=O)O)OC

InChI

InChI=1S/C21H20O9/c1-26-12-5-4-11(8-14(12)27-2)19-17(20(23)24)16(21(25)30-19)18(22)10-3-6-13-15(7-10)29-9-28-13/h3-8,16-19,22H,9H2,1-2H3,(H,23,24)/t16-,17-,18-,19-/m0/s1