2-{[(3α,5β,7β,8ξ)-3,7-Dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate

More details:

• Systematic name

  2-{[(3alpha,5beta,7beta,8xi)-3,7-Dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate

• SMILES

  C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@]4([H])[C@@H](CCC(NCCS([O-])(=O)=O)=O)C)[H])C)[H])C C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

• Std. InChi

  InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/p-1/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1

• Std. InChIKey

  BHTRKEVKTKCXOH-LBSADWJPSA-M

• Cite this record

  CSID:58163498, http://www.chemspider.com/Chemical-Structure.58163498.html (accessed 02:47, Apr 20, 2024)