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Product Overview

Product Code

TRC-S333300

CAS Number

131211-37-5

Product Format

Neat

Molecular Formula

C20H31NaO5S

Molecular Weight

406.51

Product Categories

Bioactive small molecules, Stable isotopes, TRC, Biochemicals and Reagents

Documentation

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Product Information

Chemical Data

Analyte Name

Sodium 3-Hydroxy-androst-5-ene-17-methylsulfate

CAS Number

131211-37-5

Molecular Formula

C20H31NaO5S

Molecular Weight

406.51

Accurate Mass

406.179

SMILES

O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](COS(=O)(O[Na])=O)CC[C@@]4([H])[C@]3([H])CC=C2C1

InChI

InChI=1S/C20H32O5S.Na/c1-19-9-7-15(21)11-13(19)3-5-16-17-6-4-14(12-25-26(22,23)24)20(17,2)10-8-18(16)19;/h3,14-18,21H,4-12H2,1-2H3,(H,22,23,24);/q;+1/p-1/t14-,15+,16+,17+,18+,19+,20-;/m1./s1

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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