2-{[(3α,5β,7α,17ξ)-7-Hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino}ethanesulfonic acid

More details:

• Systematic name

  2-{[(3alpha,5beta,7alpha,17xi)-7-Hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino}ethanesulfonic acid

• SMILES

  C[C@H](CCC(=O)NCCS(=O)(=O)O)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O)C

• Std. InChi

  InChI=1S/C26H45NO9S2/c1-16(4-7-23(29)27-12-13-37(30,31)32)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(36-38(33,34)35)14-17(25)15-22(24)28/h16-22,24,28H,4-15H2,1-3H3,(H,27,29)(H,30,31,32)(H,33,34,35)/t16-,17+,18-,19?,20+,21+,22-,24+,25+,26-/m1/s1

• Std. InChIKey

  GLVWZDCWCRWVFM-KSRHSBLNSA-N

• Cite this record

  CSID:28477094, http://www.chemspider.com/Chemical-Structure.28477094.html (accessed 16:10, Apr 24, 2024)