Beta-Estradiol 3-(Beta-D-Glucuronide) Sodium

Analyte Name

Estradiol 3-(beta-D-Glucuronide) Sodium Salt

CAS Number

14982-12-8

Molecular Formula

C24 H32 O8 . Na

Molecular Weight

471.5

Accurate Mass

471.2

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)=CC4)(CC1)[H])[H])(CC[C@@H]2O)[H].[Na]

InChI

InChI=1S/C24H32O8.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;/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30);/q;+1/p-1/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+;/m1./s1

IUPAC

sodium;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)