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Product Overview

Product Code

TRC-P712203

Product Format

Neat

Molecular Formula

C21 D6 H26 O2

Molecular Weight

322.51

API Family

Pregnenolone

Product Categories

TRC, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, Synthesis Tools, API

Unlabelled CAS Number

145-13-1

Documentation

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Product Information

Chemical Data

Analyte Name

Pregnenolone-d6

Molecular Formula

C21 D6 H26 O2

Molecular Weight

322.51

Accurate Mass

322.2779

SMILES

[2H]C1=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(=O)C)[C@@H]3C1

InChI

InChI=1S/C21H32O2/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/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1/i4D,8D2,12D2,15D

IUPAC

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

Unlabelled CAS Number

145-13-1

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Pregnenolone

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