Sodium (3α,5β,8ξ,9ξ,12α)-3,12-dihydroxycholan-24-oate

More details:

• Systematic name

  Sodium (3alpha,5beta,8xi,9xi,12alpha)-3,12-dihydroxycholan-24-oate

• SMILES

  C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3C[C@@H]([C@]12C)O)O.[Na+] C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](CC3C2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]

• Std. InChi

  InChI=1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/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

  FHHPUSMSKHSNKW-QVFPHPSBSA-M

• Cite this record

  CSID:58777323, http://www.chemspider.com/Chemical-Structure.58777323.html (accessed 10:33, May 15, 2024)