Product Code

TRC-T009135

CAS Number

25696-60-0

Product Format

Neat

Molecular Formula

C26H45NO7S

Molecular Weight

515.70

Product Categories

Pharmaceutical Reference Standards, TRC, Bile acids, Pharmaceutical Toxicology Reference Materials , Chiral catalysts, ligands, & reagents

Product Type

Synthesis Tools

Alternate CAS Number

Free acid: 25696-60-0

Purity

>95% (HPLC)

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Tauro-beta-muricholic Acid

CAS Number

25696-60-0

Molecular Formula

C26H45NO7S

Molecular Weight

515.70

Accurate Mass

515.292

SMILES

CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C

InChI

InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/t15-,16-,17-,18+,19+,20+,22+,23+,24-,25-,26-/m1/s1

IUPAC

2-[[(4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid

Alternate CAS Number

Free acid: 25696-60-0

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)

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Tauro-beta-muricholic Acid Sodium Salt

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