Sodium (3β,5β,6β,13α,17ξ)-3,6-dihydroxycholan-24-oate

More details:

• Systematic name

  Sodium (3beta,5beta,6beta,13alpha,17xi)-3,6-dihydroxycholan-24-oate

• SMILES

  C[C@H](CCC(=O)[O-])C1CC[C@@H]2[C@]1(CC[C@H]3[C@H]2C[C@H]([C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C.[NaH2+]

• Std. InChi

  InChI=1S/C24H40O4.Na.2H/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

  LFWREDQBLNRAHC-NUCDOQBZSA-M

• Cite this record

  CSID:27472022, http://www.chemspider.com/Chemical-Structure.27472022.html (accessed 05:48, May 15, 2024)