(3α,5β,6β,7β,12α)-3,6,7,12-Tetrahydroxy(11,11,12-²H₃)cholan-24-oic acid

More details:

• Systematic name

  (3alpha,5beta,6beta,7beta,12alpha)-3,6,7,12-Tetrahydroxy(11,11,12-~2~H_3_)cholan-24-oic acid

• SMILES

  C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C([2H])([2H])[C@@]([2H])([C@]12C)O)[C@@]4(C)CC[C@H](C[C@H]4[C@@H]([C@@H]3O)O)O [2H][C@]1([C@]2([C@@H](CC[C@@H]2[C@H](C)CCC(=O)O)[C@@H]3[C@H]([C@H]([C@@H]4C[C@@H](CC[C@@]4([C@H]3C1([2H])[2H])C)O)O)O)C)O

• Std. InChi

  InChI=1S/C24H40O6/c1-12(4-7-19(27)28)14-5-6-15-20-16(11-18(26)24(14,15)3)23(2)9-8-13(25)10-17(23)21(29)22(20)30/h12-18,20-22,25-26,29-30H,4-11H2,1-3H3,(H,27,28)/t12-,13-,14-,15+,16+,17+,18+,20+,21+,22-,23-,24-/m1/s1/i11D2,18D

• Std. InChIKey

  COCMFMBNEAMQMA-MXBKAELISA-N

• Cite this record

  CSID:58784468, http://www.chemspider.com/Chemical-Structure.58784468.html (accessed 22:14, Apr 19, 2024)