2-{[(3α,5β,6β,7α)-3,6,7-Trihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid

More details:

• Systematic name

  2-{[(3alpha,5beta,6beta,7alpha)-3,6,7-Trihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid

• SMILES

  C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@H]3O

• Std. InChi

  InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/t15-,16-,17-,18+,19+,20+,22+,23+,24+,25-,26-/m1/s1

• Std. InChIKey

  XSOLDPYUICCHJX-QQXJNSDFSA-N

• Cite this record

  CSID:78315672, http://www.chemspider.com/Chemical-Structure.78315672.html (accessed 09:56, Apr 16, 2024)