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Product Overview

Product Code

TRC-E889071

CAS Number

285979-80-8

Product Format

Neat

Molecular Formula

C18 2H4 H17 O5 S . Na

Molecular Weight

376.44

API Family

Estrone

Product Categories

TRC, Stable isotopes, Hormones & derivatives, API Reference Standards & Research Materials

Product Type

Bioactive small molecule, Stable Isotope Labelled, API

Unlabelled CAS Number

438-67-5

Documentation

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Product Information

Chemical Data

Analyte Name

Estrone-2,4,16,16-d4 3-Sulfate sodium salt

CAS Number

285979-80-8

Molecular Formula

C18 2H4 H17 O5 S . Na

Molecular Weight

376.44

Accurate Mass

376.1258

SMILES

[Na+].[2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])C4=O)[C@@H]3CCc2c([2H])c1OS(=O)(=O)[O-]

InChI

InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1/i3D,7D2,10D;

IUPAC

sodium;[(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] sulfate

Unlabelled CAS Number

438-67-5

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Estrone

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Sodium Estrone-2,4,16,16-d4 Sulfate (Stabilized with TRIS, 50% w/w)

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