Analyte Name

(rac-Enterodiol)-O-glucuronide (Mixture Of Diastereomers)

CAS Number

76543-20-9

Molecular Formula

C24H30O10

Molecular Weight

478.49

Accurate Mass

478.18

SMILES

O([C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(CC(C(CC3=CC(O)=CC=C3)CO)CO)=CC=C2

InChI

InChI=1S/C24H30O10/c25-11-15(7-13-3-1-5-17(27)9-13)16(12-26)8-14-4-2-6-18(10-14)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h1-6,9-10,15-16,19-22,24-30H,7-8,11-12H2,(H,31,32)/t15?,16?,19-,20-,21+,22-,24+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-(4-hydroxy-3-(3-hydroxybenzyl)-2-(hydroxymethyl)butyl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat