Analyte Name

2,3-Dihydro Diosmetin 3’,7-Di(2,3,4-tri-O-acetyl-D-glucuronic Acid Methyl Ester)-d3

Molecular Formula

C42 D3 H43 O24

Molecular Weight

937.819

Accurate Mass

937.257

SMILES

[2H]C([2H])([2H])Oc1ccc(cc1O[C@H]2O[C@H]([C@H](OC(=O)C)C(OC(=O)C)[C@@H]2OC(=O)C)C(=O)OC)C3CC(=O)c4c(O)cc(O[C@@H]5O[C@@H]([C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]5OC(=O)C)C(=O)OC)cc4O3

InChI

InChI=1S/C42H46O24/c1-16(43)56-31-33(58-18(3)45)37(60-20(5)47)41(65-35(31)39(51)54-8)62-23-13-24(49)30-25(50)15-27(63-29(30)14-23)22-10-11-26(53-7)28(12-22)64-42-38(61-21(6)48)34(59-19(4)46)32(57-17(2)44)36(66-42)40(52)55-9/h10-14,27,31-38,41-42,49H,15H2,1-9H3/t27?,31-,32+,33+,34?,35-,36+,37+,38-,41+,42-/m0/s1/i7D3

IUPAC

methyl (2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-[[5-hydroxy-4-oxo-2-[3-[(2R,3S,5R,6R)-3,4,5-triacetyloxy-6-methoxycarbonyloxan-2-yl]oxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-7-yl]oxy]oxane-2-carboxylate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat