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Substance Name: Ciliatocholic acid
RN: 13222-48-5
InChIKey: BGUPNWPPECTFDP-HZAMXZRMSA-N

Note

  • From bovine gall bladder bile.

Molecular Formula

  • C26-H46-N-O7-P

Molecular Weight

  • 515.6234
 
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Names and Synonyms

Name of Substance

  • Ciliatocholic acid

Systematic Name

  • Phosphonic acid, (2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)ethyl)-

Registry Numbers

CAS Registry Number

  • 13222-48-5

System Generated Number

  • 0013222485

Structure Descriptors

InChI

1S/C26H46NO7P/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)(H2,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1

InChIKey

BGUPNWPPECTFDP-HZAMXZRMSA-N

Smiles

C[C@H](CCC(=O)NCCP(=O)(O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C