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Product Overview

Product Code

TRC-P712221

CAS Number

1485492-21-4

Product Format

Neat

Molecular Formula

C21H27D4NaO5S

Molecular Weight

422.55

API Family

Pregnenolone

Product Categories

Stable isotopes, Stable Isotope Labelled Analytical Standards, TRC

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Unlabelled CAS Number

1852-38-6

Documentation

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Product Information

Chemical Data

Analyte Name

Pregnenolone-17alpha,21,21,21-D4 Sulfate Sodium Salt

CAS Number

1485492-21-4

Molecular Formula

C21H27D4NaO5S

Molecular Weight

422.55

Accurate Mass

422.2

SMILES

C[C@@](C1=CC2)(CC[C@H](O[S](=O)(O[Na])=O)C1)[C@]3([H])[C@]2([H])[C@@](CC[C@]4([2H])C(C([2H])([2H])[2H])=O)([H])[C@]4(C)CC3

InChI

InChI=1S/C21H32O5S.Na/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3;/h4,15-19H,5-12H2,1-3H3,(H,23,24,25);/q;+1/p-1/t15-,16-,17+,18-,19-,20-,21+;/m0./s1/i1D3,17D;

IUPAC

sodium (3S,8S,9S,10R,13S,14S,17S)-17-(acetyl-d3)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl-17-d sulfate

Unlabelled CAS Number

1852-38-6

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

Pregnenolone

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Product Overview

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Chemical Data

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Sodium Pregnenolone-17alpha,21,21,21-d4 Sulfate

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