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Substance Name: 7-Ketodeoxycholic acid
RN: 911-40-0
UNII: 14DEP88BGS
InChIKey: RHCPKKNRWFXMAT-RRWYKFPJSA-N

Molecular Weight

  • 406.559
 
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Names and Synonyms

Name of Substance

  • 7-Ketodeoxycholic acid

Synonyms

  • 3alpha,12alpha-Diol-7-one-5beta-cholanoic acid
  • 3alpha,7alpha-Dihydroxy-7-keto-5beta-cholanoic acid
  • 7-Oxodeoxycholic acid
  • UNII-14DEP88BGS

Systematic Name

  • (3alpha,5beta,12alpha)-3,12-Dihydroxy-7-oxocholan-24-oic acid

Registry Numbers

CAS Registry Number

  • 911-40-0

FDA UNII

  • 14DEP88BGS

System Generated Number

  • 0000911400

Structure Descriptors

InChI

1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,20+,22+,23+,24-/m1/s1

InChIKey

RHCPKKNRWFXMAT-RRWYKFPJSA-N

Smiles

C1[C@H](C[C@H]2CC([C@H]3[C@@H]4CC[C@@H]([C@@H](CCC(=O)O)C)[C@@]4(C)[C@H](C[C@H]3[C@@]2(C1)C)O)=O)O