Apocholic acid

Apocholic acid
Names
IUPAC name
3α,12α-Dihydroxy-5β-chol-8(14)-en-24-oic acid
Systematic IUPAC name
(4R)-4-[(1R,5aR,7R,9aS,9bR,11S,11aR)-7,11-Dihydroxy-9a,11a-dimethyl-2,3,4,5,5a,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other names
3α,12α-Dihydroxy-5β,8(14)-cholen-24-oic acid; 5β,8(14)-Cholen-24-oic acid-3α,12α-diol
Identifiers
3D model (JSmol)
ChemSpider
UNII
  • InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1 Y
    Key: XWJTYEGVQBFZHI-IMPNNSMHSA-N Y
  • C[C@H](CCC(O)=O)[C@@]1([H])CCC2=C3CC[C@]4([H])C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C
Properties
C24H38O4
Molar mass 390.564 g·mol−1
Melting point 175 to 176 °C (347 to 349 °F; 448 to 449 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references

Apocholic acid is an unsaturated bile acid first characterized in the 1920s. It has questionable carcinogenic activity as experimentally, sarcomas were induced in mice with injection of deoxycholic acid.

The salts and esters of apocholic acid are known as apocholates.

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