Analyte Name

Equilin 3-O-beta-D-Glucuronide Sodium Salt

CAS Number

27610-12-4

Molecular Formula

C24H27NaO8

Molecular Weight

466.46

Accurate Mass

466.1604

SMILES

[Na+].C[C@]12CC[C@H]3C(=CCc4cc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)[O-])ccc34)[C@@H]1CCC2=O

InChI

InChI=1S/C24H28O8.Na/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30;/h3-5,10,14,16,18-21,23,26-28H,2,6-9H2,1H3,(H,29,30);/q;+1/p-1/t14-,16+,18+,19+,20-,21+,23-,24+;/m1./s1

Country of Origin

CANADA

Product Format

Neat