Product Code

CDN-D-5285

CAS Number

285979-81-9

Product Format

Neat

Molecular Formula

C18 2H4 H15 O5 S . Na

Molecular Weight

374.42

Product Categories

Hormones & derivatives, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

16680-47-0

Purity

97 atom % D, min 95% Chemical Purity

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Analyte Data

Analyte Name

Equilin 3-sulfate-d4 sodium salt

CAS Number

285979-81-9

Molecular Formula

C18 2H4 H15 O5 S . Na

Molecular Weight

374.42

Accurate Mass

374.1102

SMILES

[Na+].[2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])C4=O)C3=CCc2c([2H])c1OS(=O)(=O)[O-]

InChI

InChI=1S/C18H20O5S.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,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1/i3D,7D2,10D;

IUPAC

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

Unlabelled CAS Number

16680-47-0

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

97 atom % D, min 95% Chemical Purity

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

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