Taurocholic acid

Product number: 65-1011

CAS number: 81-24-3

Synonyms: N-Choloyltaurine, Cholyltaurine, Cholaic acid, 2-[[(3α,5β,7α,12α)-3,7 [...],12-Trihydroxy-24-oxocholan-24-yl]amino]ethanesulfonic acid, Cholic acid taurine conjugate, Cholane, ethanesulfonic acid deriv., Taurocholic acid, Taurine, N-choloyl-, 3α,7α,12α-Trihydroxy-5β-cholanic acid-24-taurine, NSC 25505

Identifiers

CAS Index Name: Ethanesulfonic acid, 2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-

Molecular formula: C₂₆H₄₅NO₇S

Molecular weight: 515.71

Smiles: O=C(NCCS(=O)(=O)O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C

Isomeric Smiles: OC1C2(C3(C(C)(C(C(CCC(NCCS(=O)(=O)O)=O)C)(CC3)[H])C(O)CC2(C4(C)C(C1)(CC(O)CC4)[H])[H])[H])[H]

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

InChIKey: InChIKey=WBWWGRHZICKQGZ-HZAMXZRMSA-N

Product information

Purity: >98%

Storage: Freezer

Supplied as: Neat

Physical state: Solid

Documentation: Certificate of Analysis

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