5-{[(3α,5β)-3-Hydroxy-24-oxocholan-24-yl]amino}isophthalic acid

More details:

• Systematic name

  5-{[(3alpha,5beta)-3-Hydroxy-24-oxocholan-24-yl]amino}isophthalic acid

• SMILES

  C[C@H](CCC(=O)NC1C=C(C=C(C=1)C(O)=O)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

• Std. InChi

  InChI=1S/C32H45NO6/c1-18(4-9-28(35)33-22-15-19(29(36)37)14-20(16-22)30(38)39)25-7-8-26-24-6-5-21-17-23(34)10-12-31(21,2)27(24)11-13-32(25,26)3/h14-16,18,21,23-27,34H,4-13,17H2,1-3H3,(H,33,35)(H,36,37)(H,38,39)/t18-,21-,23-,24+,25-,26+,27+,31+,32-/m1/s1

• Std. InChIKey

  BFYYXWCXPZTBMZ-ZCONXCDASA-N

• Cite this record

  CSID:61711242, http://www.chemspider.com/Chemical-Structure.61711242.html (accessed 00:44, Jun 30, 2024)