2-{[(3α,5β,7α,8ξ,12α,16α)-3,7,12,16-Tetrahydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid

More details:

• Systematic name

  2-{[(3alpha,5beta,7alpha,8xi,12alpha,16alpha)-3,7,12,16-Tetrahydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid

• SMILES

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

• Std. InChi

  InChI=1S/C26H45NO8S/c1-14(4-5-22(32)27-8-9-36(33,34)35)24-20(30)12-18-23-17(13-21(31)26(18,24)3)25(2)7-6-16(28)10-15(25)11-19(23)29/h14-21,23-24,28-31H,4-13H2,1-3H3,(H,27,32)(H,33,34,35)/t14-,15+,16-,17+,18+,19-,20-,21+,23-,24+,25+,26-/m1/s1

• Std. InChIKey

  OHMWTLKOQPVDKT-LJAQDADDSA-N

• Cite this record

  CSID:23253871, http://www.chemspider.com/Chemical-Structure.23253871.html (accessed 08:06, May 27, 2024)