methyl (2S,3S,4S,5R)-6-[[(8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-8-oxidanylidene-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-4-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4S,5R)-6-[[(8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-8-oxidanylidene-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-4-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylate Openeye Name: methyl (2S,3S,4S,5R)-6-[[(8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-4-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R)-6-[[(8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-4-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5R)-6-[[(8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate Traditional Name: (2S,3S,4S,5R)-6-[[(8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-8-keto-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-4-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C28H30O14 MolecularWeight: 590.5294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2C3C(CC4=C(C5=C(C=C24)OCO5)OC6C(C(C(C(O6)C(=O)OC)O)O)O)COC3=O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(CC4=C(C5=C(C=C24)OCO5)OC6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)O)O)O)COC3=O

InChI

InChI=1S/C28H30O14/c1-35-14-5-10(6-15(36-2)19(14)29)17-12-7-16-24(40-9-39-16)23(13(12)4-11-8-38-26(33)18(11)17)41-28-22(32)20(30)21(31)25(42-28)27(34)37-3/h5-7,11,17-18,20-22,25,28-32H,4,8-9H2,1-3H3/t11?,17-,18+,20+,21+,22-,25+,28?/m1/s1