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Substance Name: Tauro-3,7-dihydroxy-12-ketocholanoic acid
RN: 67460-70-2
InChIKey: FFCCMCGVGUOGGP-AHBZRTSYSA-N

Molecular Weight

  • 513.692
 
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Names and Synonyms

Name of Substance

  • Tauro-3,7-dihydroxy-12-ketocholanoic acid

Synonym

  • Tauro-3alpha,7alpha-dihydroxy-12-keto-5beta-cholanoic acid

Systematic Name

  • Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha)-3,7-dihydroxy-12,24-dioxocholan-24-yl)amino)-

Registry Numbers

CAS Registry Number

  • 67460-70-2

System Generated Number

  • 0067460702

Structure Descriptors

InChI

1S/C26H43NO7S/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/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19?,20?,21-,24?,25+,26-/m1/s1

InChIKey

FFCCMCGVGUOGGP-AHBZRTSYSA-N

Smiles

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