2-{[(3α,5β,8α,14β)-3-Hydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid

More details:

• Systematic name

  2-{[(3alpha,5beta,8alpha,14beta)-3-Hydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid

• SMILES

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

• Std. InChi

  InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18-,19-,20-,21-,22-,23+,25+,26-/m1/s1

• Std. InChIKey

  QBYUNVOYXHFVKC-DLRMUWHCSA-N

• Cite this record

  CSID:32808625, http://www.chemspider.com/Chemical-Structure.32808625.html (accessed 07:00, Apr 16, 2024)