Sodium (3α,5β,7α,10ξ,12β,13ξ)-3,7,12-trihydroxycholan-24-oate

More details:

• Systematic name

  Sodium (3alpha,5beta,7alpha,10xi,12beta,13xi)-3,7,12-trihydroxycholan-24-oate

• SMILES

  C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2C1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4C3(CC[C@H](C4)O)C)O)O)C.[Na+]

• Std. InChi

  InChI=1S/C24H40O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23?,24?;/m1./s1

• Std. InChIKey

  NRHMKIHPTBHXPF-GGTKNEGOSA-M

• Cite this record

  CSID:58817105, http://www.chemspider.com/Chemical-Structure.58817105.html (accessed 17:41, May 4, 2024)