Sodium (3α,5β,6α,8ξ,9ξ,14ξ,20R)-3,6-dihydroxycholan-24-oate

More details:

• Systematic name

  Sodium (3alpha,5beta,6alpha,8xi,9xi,14xi,20R)-3,6-dihydroxycholan-24-oate

• SMILES

  C[C@H](CCC(=O)[O-])[C@H]1CCC2[C@@]1(CCC3C2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]

• Std. InChi

  InChI=1S/C24H40O4.Na/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16?,17-,18?,19?,20+,21+,23-,24-;/m1./s1

• Std. InChIKey

  DUYSCILLIVEITB-IHUGHQDSSA-M

• Cite this record

  CSID:180357, http://www.chemspider.com/Chemical-Structure.180357.html (accessed 13:08, May 15, 2024)