[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S)-4-[(3,4-dimethoxyphenyl)carbonyloxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methoxy-phenyl]methyl 3,4-dimethoxybenzoate

Systemtic Name: [4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S)-4-[(3,4-dimethoxyphenyl)carbonyloxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methoxy-phenyl]methyl 3,4-dimethoxybenzoate Openeye Name: [4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S)-4-[(3,4-dimethoxybenzoyl)oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-methoxy-phenyl]methyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-[[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S)-4-[[(3,4-dimethoxyphenyl)-oxomethoxy]methyl]-3,4-dihydroxy-2-oxolanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-3-methoxyphenyl]methyl ester IUPAC Name: [4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S)-4-[(3,4-dimethoxybenzoyl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-methoxyphenyl]methyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S)-3,4-dihydroxy-4-(veratroyloxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-methoxy-benzyl] ester Formula: C37H44O18 MolecularWeight: 776.73446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=C(C=C2)OC3C(C(C(C(O3)COC4C(C(CO4)(COC(=O)C5=CC(=C(C=C5)OC)OC)O)O)O)O)O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@](CO4)(COC(=O)C5=CC(=C(C=C5)OC)OC)O)O)O)O)O)OC)OC

InChI

InChI=1S/C37H44O18/c1-45-22-10-7-20(13-26(22)48-4)33(42)50-15-19-6-9-24(25(12-19)47-3)54-35-31(40)30(39)29(38)28(55-35)16-51-36-32(41)37(44,18-53-36)17-52-34(43)21-8-11-23(46-2)27(14-21)49-5/h6-14,28-32,35-36,38-41,44H,15-18H2,1-5H3/t28-,29-,30+,31-,32+,35-,36-,37-/m1/s1