N-[(3α,5β)-3-Hydroxy-24-oxo(2,2,3,4,4-²H₅)cholan-24-yl]glycine

More details:

• Systematic name

  N-[(3alpha,5beta)-3-Hydroxy-24-oxo(2,2,3,4,4-~2~H_5_)cholan-24-yl]glycine

• SMILES

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

• Std. InChi

  InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1/i10D2,14D2,18D

• Std. InChIKey

  XBSQTYHEGZTYJE-QJGQIPQQSA-N

• Cite this record

  CSID:58782428, http://www.chemspider.com/Chemical-Structure.58782428.html (accessed 22:51, Apr 29, 2024)