Sodium (3α,5β,7β,8ξ,9ξ,14ξ)-3,7-dihydroxycholan-24-oate

More details:

• Systematic name

  Sodium (3alpha,5beta,7beta,8xi,9xi,14xi)-3,7-dihydroxycholan-24-oate

• SMILES

  C[C@H](CCC(=O)[O-])[C@H]1CCC2[C@@]1(CCC3C2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]

• Std. InChi

  InChI=1S/C24H40O4.Na/c1-14(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;/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15+,16-,17-,18?,19?,20+,22?,23+,24-;/m1./s1

• Std. InChIKey

  WDFRNBJHDMUMBL-CRDYQLKSSA-M

• Cite this record

  CSID:144697, http://www.chemspider.com/Chemical-Structure.144697.html (accessed 16:15, May 15, 2024)