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Substance Name: Triacetoxycholic acid
RN: 52840-09-2
UNII: JFJ4AC471J
InChIKey: QZUORFHTBYGMJJ-SMSYYINHSA-N

Note

  • Isolated from the soft coral Alcyonium.

Molecular Formula

  • C30-H46-O8

Molecular Weight

  • 534.6854
 
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Names and Synonyms

Name of Substance

  • Triacetoxycholic acid

Synonyms

  • (3alpha,5beta,7alpha,12alpha)-3,7,12-Tris(acetyloxy)cholan-24-oic acid
  • 3alpha,7alpha,12alpha-Triacetoxy-5beta-cholanic acid
  • Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, (3alpha,5beta,7alpha,12alpha)-
  • Cholic acid 3,7,12-triacetate
  • Cholic acid, triacetate
  • Triacetoxycholic acid
  • UNII-JFJ4AC471J

Registry Numbers

CAS Registry Number

  • 52840-09-2

FDA UNII

  • JFJ4AC471J

System Generated Number

  • 0052840092

Structure Descriptors

InChI

1S/C30H46O8/c1-16(7-10-27(34)35)22-8-9-23-28-24(15-26(30(22,23)6)38-19(4)33)29(5)12-11-21(36-17(2)31)13-20(29)14-25(28)37-18(3)32/h16,20-26,28H,7-15H2,1-6H3,(H,34,35)/t16-,20+,21-,22-,23+,24+,25-,26+,28+,29+,30-/m1/s1

InChIKey

QZUORFHTBYGMJJ-SMSYYINHSA-N

Smiles

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