(3α,5β,12α)-3,12-Dihydroxy(1,1,2,2,3-²H₅)cholan-24-oic acid

More details:

• Systematic name

  (3alpha,5beta,12alpha)-3,12-Dihydroxy(1,1,2,2,3-~2~H_5_)cholan-24-oic acid

• SMILES

  O[C@]1([2H])C([2H])([2H])C([2H])([2H])[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(O)=O)CC[C@@]4([H])[C@]3([H])CC[C@@H]2C1 [2H][C@]1(O)C[C@H]2CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@@H]3[C@@]2(C)C([2H])([2H])C1([2H])[2H]

• Std. InChi

  InChI=1S/C24H40O4/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/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/i10D2,11D2,16D

• Std. InChIKey

  KXGVEGMKQFWNSR-XYOXEVKYSA-N

• Cite this record

  CSID:73986568, http://www.chemspider.com/Chemical-Structure.73986568.html (accessed 18:20, May 17, 2024)