dimethyl (5S,6R,7R,8R)-8-(3,4-dimethoxyphenyl)-5-oxidanyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate

Systemtic Name: dimethyl (5S,6R,7R,8R)-8-(3,4-dimethoxyphenyl)-5-oxidanyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate Openeye Name: dimethyl (5S,6R,7R,8R)-8-(3,4-dimethoxyphenyl)-5-hydroxy-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate CAS Name: (5S,6R,7R,8R)-8-(3,4-dimethoxyphenyl)-5-hydroxy-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (5S,6R,7R,8R)-8-(3,4-dimethoxyphenyl)-5-hydroxy-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate Traditional Name: (5S,6R,7R,8R)-8-(3,4-dimethoxyphenyl)-5-hydroxy-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylic acid dimethyl ester Formula: C23H24O9 MolecularWeight: 444.43126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(C(C3=CC4=C(C=C23)OCO4)O)C(=O)OC)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2[C@H]([C@H]([C@@H](C3=CC4=C(C=C23)OCO4)O)C(=O)OC)C(=O)OC)OC

InChI

InChI=1S/C23H24O9/c1-27-14-6-5-11(7-15(14)28-2)18-12-8-16-17(32-10-31-16)9-13(12)21(24)20(23(26)30-4)19(18)22(25)29-3/h5-9,18-21,24H,10H2,1-4H3/t18-,19-,20-,21-/m1/s1