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Product Overview

Product Code

TRC-A547120

CAS Number

1177357-94-6

Product Format

Neat

Molecular Formula

C26H39NO5S

Molecular Weight

477.66

API Family

Progesterone

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

Impurity, Metabolite, API

Alternate CAS Number

Free base: 29802-94-6

Documentation

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Product Information

Chemical Data

Analyte Name

(3alpha)-Allopregnanolone Sulfate Pyridinium Salt

CAS Number

1177357-94-6

Molecular Formula

C26H39NO5S

Molecular Weight

477.66

Accurate Mass

477.2549

SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)C.C1=CC=NC=C1

InChI

InChI=1S/C21H34O5S.C5H5N/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;1-2-4-6-5-3-1/h14-19H,4-12H2,1-3H3,(H,23,24,25);1-5H/t14-,15+,16-,17+,18-,19-,20-,21+;/m0./s1

IUPAC

[(3R,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate;pyridine

Alternate CAS Number

Free base: 29802-94-6

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Progesterone

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