Analyte Name

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

Molecular Formula

C42 D3 H41 O24

Molecular Weight

935.803

Accurate Mass

935.241

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)C3=CC(=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/C42H44O24/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/h10-15,31-38,41-42,49H,1-9H3/t31-,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]chromen-7-yl]oxyoxane-2-carboxylate

Unlabelled CAS Number

159355-60-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat