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Product Overview

Product Code

TRC-E888979

Product Format

Neat

Molecular Formula

C24H28D3NaO8

Molecular Weight

473.51

Product Categories

TRC, Molecular biology reagents, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

14982-12-8

Documentation

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Product Information

Chemical Data

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

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

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