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

More details:

• Systematic name

  2-[[(4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]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(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-LBSADWJPSA-N

• Cite this record

  CSID:71044273, http://www.chemspider.com/Chemical-Structure.71044273.html (accessed 19:38, Apr 26, 2024)