2-{[(5β,7β)-7-Hydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid

More details:

• Systematic name

  2-{[(5beta,7beta)-7-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]2[C@H](C[C@H]4[C@@]3(CCCC4)C)O)C

• Std. InChi

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

• Std. InChIKey

  FQXGAETVDKJVFL-XZPYPKQJSA-N

• Cite this record

  CSID:58887333, http://www.chemspider.com/Chemical-Structure.58887333.html (accessed 02:28, Jun 10, 2023)