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Product Overview

Product Code

TRC-S689125

Product Format

Neat

Molecular Formula

C27H49NO6S

Molecular Weight

515.75

API Family

Lithocholic Acid

Product Categories

TRC

Alternate CAS Number

Free acid: 34669-57-3

Documentation

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Product Information

Chemical Data

Analyte Name

Sulfolithocholic Acid Trimethylamine Salt

Molecular Formula

C27H49NO6S

Molecular Weight

515.75

SMILES

[H][C@@]12C[C@H](OS(=O)(O)=O)CC[C@]1(C)[C@]3([H])[C@@]([C@@](CC[C@]4([H])[C@@H](CCC(O)=O)C)([H])[C@]4(C)CC3)([H])CC2.CN(C)C

InChI

InChI=1S/C24H40O6S.C3H9N/c1-15(4-9-22(25)26)19-7-8-20-18-6-5-16-14-17(30-31(27,28)29)10-12-23(16,2)21(18)11-13-24(19,20)3;1-4(2)3/h15-21H,4-14H2,1-3H3,(H,25,26)(H,27,28,29);1-3H3/t15-,16-,17-,18+,19-,20+,21+,23+,24-;/m1./s1

Alternate CAS Number

Free acid: 34669-57-3

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Lithocholic Acid

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