Ethyl beta-D-Glucuronide

Analyte Name

Ethyl-beta-D-glucuronide

CAS Number

17685-04-0

Molecular Formula

C8 H14 O7

Molecular Weight

222.193

Accurate Mass

222.074

SMILES

CCO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O

InChI

InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Alternate CAS Number

150659-53-3

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Alcohol Biomarker