N-[(3β,5β,7α,8ξ,12α)-3,7,12-Trihydroxy-24-oxo(2,2,3,4,4-²H₅)cholan-24-yl]glycine

More details:

• Systematic name

  N-[(3beta,5beta,7alpha,8xi,12alpha)-3,7,12-Trihydroxy-24-oxo(2,2,3,4,4-~2~H_5_)cholan-24-yl]glycine

• SMILES

  [2H][C@]1(O)C([2H])([2H])[C@H]2C[C@@H](O)C3[C@H](C[C@H](O)[C@]4(C)[C@H](CC[C@H]43)[C@H](C)CCC(=O)NCC(O)=O)[C@@]2(C)CC1([2H])[2H]

• Std. InChi

  InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24?,25+,26-/m1/s1/i8D2,10D2,16D

• Std. InChIKey

  RFDAIACWWDREDC-GCUZPFIWSA-N

• Cite this record

  CSID:77498372, http://www.chemspider.com/Chemical-Structure.77498372.html (accessed 22:50, Apr 16, 2024)