CHENODIOL MAGNESIUM

More details:

• Systematic name

  Magnesium bis[(3alpha,5beta,7alpha,20R)-3,7-dihydroxycholan-24-oate]

• SMILES

  C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Mg+2]

• Std. InChi

  InChI=1S/2C24H40O4.Mg/c2*1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26;/h2*14-20,22,25-26H,4-13H2,1-3H3,(H,27,28);/q;;+2/p-2/t2*14-,15+,16-,17-,18+,19+,20-,22+,23+,24-;/m11./s1

• Std. InChIKey

  ALTUSCNIFSYQOT-QKDOFGDLSA-L

• Cite this record

  CSID:32699993, http://www.chemspider.com/Chemical-Structure.32699993.html (accessed 12:10, May 29, 2024)