Analyte Name

trans-Resveratrol-d4 4'-O-beta-D-Glucuronide Sodium

Molecular Formula

C20 H15 D4 Na O9

Molecular Weight

430.37

Accurate Mass

430.12

SMILES

OC1=CC(/C=C/C2=C([2H])C([2H])=C(O[C@H]3O[C@@H](C(O[Na])=O)[C@H](O)[C@@H](O)[C@@H]3O)C([2H])=C2[2H])=CC(O)=C1

InChI

InChI=1S/C20H20O9.Na/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27;/h1-9,15-18,20-25H,(H,26,27);/q;+1/p-1/b2-1+;/t15-,16-,17+,18-,20+;/m1./s1/i3D,4D,5D,6D;

IUPAC

[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[2,3,5,6-tetradeuterio-4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]phenoxy]tetrahydropyran-2-carbonyl]oxysodium

Unlabelled CAS Number

Free acid: 387372-20-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat