[(1R,2R,3S,4R,5R)-3,4-bis[(3,4,5-trimethoxyphenyl)carbonyloxy]-6,8-dioxabicyclo[3.2.1]octan-2-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [(1R,2R,3S,4R,5R)-3,4-bis[(3,4,5-trimethoxyphenyl)carbonyloxy]-6,8-dioxabicyclo[3.2.1]octan-2-yl] 3,4,5-trimethoxybenzoate Openeye Name: [(1R,2R,3S,4R,5R)-3,4-bis[(3,4,5-trimethoxybenzoyl)oxy]-6,8-dioxabicyclo[3.2.1]octan-2-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [(1R,2R,3S,4R,5R)-3,4-bis[oxo-(3,4,5-trimethoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-yl] ester IUPAC Name: [(1R,2R,3S,4R,5R)-3,4-bis[(3,4,5-trimethoxybenzoyl)oxy]-6,8-dioxabicyclo[3.2.1]octan-2-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [(1R,2R,3S,4R,5R)-3,4-bis[(3,4,5-trimethoxybenzoyl)oxy]-6,8-dioxabicyclo[3.2.1]octan-2-yl] ester Formula: C36H40O17 MolecularWeight: 744.6926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2C3COC(O3)C(C2OC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)O[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2OC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C36H40O17/c1-40-20-10-17(11-21(41-2)27(20)46-7)33(37)51-30-26-16-49-36(50-26)32(53-35(39)19-14-24(44-5)29(48-9)25(15-19)45-6)31(30)52-34(38)18-12-22(42-3)28(47-8)23(13-18)43-4/h10-15,26,30-32,36H,16H2,1-9H3/t26-,30-,31+,32-,36-/m1/s1