(5β,8ξ,9ξ,12α)-12-Hydroxy-3-oxocholan-24-oic acid

More details:

• Systematic name

  (5beta,8xi,9xi,12alpha)-12-Hydroxy-3-oxocholan-24-oic acid

• SMILES

  C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3CC[C@@H]4CC(=O)CC[C@]4(C)C3C[C@@H]([C@]12C)O C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](CC3C2CC[C@H]4[C@@]3(CCC(=O)C4)C)O)C

• Std. InChi

  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/h14-15,17-21,26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,17?,18-,19+,20?,21+,23+,24-/m1/s1

• Std. InChIKey

  WMUMZOAFCDOTRW-SJGBLPJWSA-N

• Cite this record

  CSID:58784734, http://www.chemspider.com/Chemical-Structure.58784734.html (accessed 15:11, May 16, 2024)