(5β,12α)-12-Hydroxy-3-oxocholan-24-oate

More details:

• Systematic name

  (5beta,12alpha)-12-Hydroxy-3-oxocholan-24-oate

• SMILES

  C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CC[C@@]2(CC(C1)=O)[H])[H])(CC[C@@]4([C@@H](CCC([O-])=O)C)[H])[H])C)O)[H])C C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[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)/p-1/t14-,15-,17+,18-,19+,20+,21+,23+,24-/m1/s1

• Std. InChIKey

  WMUMZOAFCDOTRW-OVEHVULHSA-M

• Cite this record

  CSID:58145627, http://www.chemspider.com/Chemical-Structure.58145627.html (accessed 22:27, May 16, 2024)