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Product Overview

Product Code

CDN-D-5800

CAS Number

2687960-66-1

Product Format

Neat

Molecular Formula

C21 D4 H30 O2

Molecular Weight

322.5181

Product Categories

Steroids, hormones & derivatives, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

516-55-2

Purity

97 atom % D, min 96% Chemical Purity

Documentation

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Product Information

Analyte Data

Analyte Name

3beta-Hydroxy-5alpha-pregnan-20-one-17,21,21,21-D4

CAS Number

2687960-66-1

Molecular Formula

C21 D4 H30 O2

Molecular Weight

322.5181

Accurate Mass

322.281

SMILES

[2H]C([2H])([2H])C(=O)[C@@]1([2H])CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI

InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1/i1D3,17D

IUPAC

2,2,2-trideuterio-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-deuterio-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone

Unlabelled CAS Number

516-55-2

SIL Type

Deuterium

Product Data

Storage Temperature

Room Temperature

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

97 atom % D, min 96% Chemical Purity

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Product Overview

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Analyte Data

Product Data

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5alpha-Pregnan-3beta-ol-20-one-17alpha,21,21,21-d4

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