Product Code

CDN-D-5287

CAS Number

352431-50-6

Product Format

Neat

Molecular Formula

C18 D4 H19 O5 S . Na

Molecular Weight

378.452

Product Categories

Hormones & derivatives, Stable isotopes

Product Type

Stable Isotope Labelled

Alternate CAS Number

4999-79-5

Unlabelled CAS Number

4999-79-5

Purity

98 atom % D, min 98% Chemical Purity

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Analyte Data

Analyte Name

Sodium 17beta-Estradiol-2,4,16,16-d4 3-Sulfate

CAS Number

352431-50-6

Molecular Formula

C18 D4 H19 O5 S . Na

Molecular Weight

378.452

Accurate Mass

378.141

SMILES

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

InChI

InChI=1S/C18H24O5S.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;/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,17+,18+;/m1./s1/i3D,7D2,10D;

IUPAC

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

Alternate CAS Number

4999-79-5

Unlabelled CAS Number

4999-79-5

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

98 atom % D, min 98% Chemical Purity

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Sodium 17beta-Estradiol-2,4,16,16-d4 3-Sulfate (Stabilized with TRIS, 50% w/w)

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