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Product Overview

Product Code

TRC-E888975

CAS Number

15087-06-6

Product Format

Neat

Molecular Formula

C24H31NaO9

Molecular Weight

486.49

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive Small Molecule, Metabolite

Alternate CAS Number

Free acid: 2479-91-6

Documentation

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Product Information

Chemical Data

Analyte Name

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

CAS Number

15087-06-6

Molecular Formula

C24H31NaO9

Molecular Weight

486.49

Accurate Mass

486.1866

SMILES

OC1[C@H](O)[C@@H](C(O[Na])=O)O[C@@H](OC2=CC=C3C(CC[C@]4([H])[C@]3([H])CC[C@@]5(C)[C@@]4([H])C[C@@H](O)[C@@H]5O)=C2)C1O

InChI

InChI=1S/C24H32O9.Na/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29;/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31);/q;+1/p-1/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+;/m1./s1

Alternate CAS Number

Free acid: 2479-91-6

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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