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Product Overview

Product Code

TRC-P711302

CAS Number

96737-93-8

Product Format

Neat

Molecular Formula

C21 D4 H30 O2

Molecular Weight

322.518

Product Categories

TRC, Stable isotopes, Stable Isotope Labelled Analytical Standards

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

128-20-1

Documentation

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Product Information

Chemical Data

Analyte Name

5beta-Pregnan-3alpha-ol-20-one-d4

CAS Number

96737-93-8

Molecular Formula

C21 D4 H30 O2

Molecular Weight

322.518

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-/m1/s1/i1D3,17D

IUPAC

2,2,2-trideuterio-1-[(3R,5R,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

128-20-1

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Chemical Data

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5beta-Pregnan-3alpha-ol-20-one-d4 (contains 10% toluene)

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