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Substance Name: 3-Oxo-7-hydroxychol-4-enoic acid
RN: 14772-95-3
InChIKey: CFLVYJJIZHNITM-NLXMLWGDSA-N

Note

  • Intermediate in biosynthesis of chenodeoxycholic acid.

Molecular Weight

  • 388.544
 
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Names and Synonyms

Name of Substance

  • 3-Oxo-7-hydroxychol-4-enoic acid

Synonyms

  • 3-Oxo-7alpha-hydroxychol-4-enoic acid
  • 7-HOC acid
  • 7alpha-Hydroxy-3-oxochol-4-en-24-oic acid

Systematic Name

  • (7alpha)-7-Hydroxy-3-oxochol-4-en-24-oic acid

Registry Numbers

CAS Registry Number

  • 14772-95-3

System Generated Number

  • 0014772953

Structure Descriptors

InChI

1S/C24H36O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h12,14,17-20,22,26H,4-11,13H2,1-3H3,(H,27,28)/t14-,17-,18+,19+,20-,22+,23+,24-/m1/s1

InChIKey

CFLVYJJIZHNITM-NLXMLWGDSA-N

Smiles

C1(CC[C@@]2([C@H]3CC[C@@]4([C@@H]([C@@H](CCC(=O)O)C)CC[C@@H]4[C@@H]3[C@@H](CC2=C1)O)C)C)=O