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

More details:

• Systematic name

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

• SMILES

  C(C[C@@H](C)[C@@]1([C@@]2([C@]([C@]3([C@](CC2)([C@@]4([C@@](C[C@@H](CC4)O)([C@H]([C@H]3O)O)[H])C)[H])[H])(CC1)[H])C)[H])C(NCC([O-])=O)=O C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

• Std. InChi

  InChI=1S/C26H43NO6/c1-14(4-7-20(29)27-13-21(30)31)16-5-6-17-22-18(9-11-25(16,17)2)26(3)10-8-15(28)12-19(26)23(32)24(22)33/h14-19,22-24,28,32-33H,4-13H2,1-3H3,(H,27,29)(H,30,31)/p-1/t14-,15-,16-,17+,18+,19+,22+,23-,24+,25-,26-/m1/s1

• Std. InChIKey

  ZQYUKJFJPJDMMR-ZDWCHQGWSA-M

• Cite this record

  CSID:58163620, http://www.chemspider.com/Chemical-Structure.58163620.html (accessed 07:27, Apr 23, 2024)