Sodium 17beta-Estradiol-16,16,17-d3 3-Glucuronide

Analyte Name

Sodium 17beta-Estradiol-16,16,17-d3 3-Glucuronide

Molecular Formula

C24H28D3NaO8

Molecular Weight

473.51

Accurate Mass

473.21

SMILES

CC12C(C(CCC3=C4C=CC(O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)=C3)C4CC2)CC([2H])([C@@]1(O)[2H])[2H].[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?;/m0./s1/i7D2,17D;

IUPAC

sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(((17S)-17-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl-16,16,17-d3)oxy)tetrahydro-2H-pyran-2-carboxylate

Unlabelled CAS Number

14982-12-8

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)