2-{[(3α,5β,12α)-3,12-Dihydroxy-7,24-dioxocholan-24-yl]amino}ethanesulfonic acid

More details:

• Systematic name

  2-{[(3alpha,5beta,12alpha)-3,12-Dihydroxy-7,24-dioxocholan-24-yl]amino}ethanesulfonic acid

• SMILES

  O=S(=O)(O)CCNC(=O)CC[C@H]([C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4[C@]([C@H]3C[C@H](O)[C@]12C)(C)CC[C@@H](O)C4)C

• Std. InChi

  InChI=1S/C26H43NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-20,22,24,28,30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,22+,24+,25+,26-/m1/s1

• Std. InChIKey

  VXWYZDSFMHCNQA-UUGCEIAESA-N

• Cite this record

  CSID:8182246, http://www.chemspider.com/Chemical-Structure.8182246.html (accessed 10:58, Apr 19, 2024)