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Product Overview

Product Code

TRC-D453895

CAS Number

10538-64-4

Product Format

Neat

Molecular Formula

C25H40O5

Molecular Weight

420.58

Product Categories

TRC

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

(3alpha,5beta,7alpha)-3,7-Dihydroxy-12-oxocholan-24-oic Acid Methyl Ester

CAS Number

10538-64-4

Molecular Formula

C25H40O5

Molecular Weight

420.58

Accurate Mass

420.2876

SMILES

COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C

InChI

InChI=1S/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-20,23,26-27H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,23+,24+,25-/m1/s1

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Product Overview

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Chemical Data

Product Data

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(3a,​5b,​7a)​-3,​7-​Dihydroxy-​12-​oxocholan-​24-​oic Acid Methyl Ester

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