(3β,4α,5β,8ξ,9ξ,12α,14ξ,17ξ,20R)-3,4,12-Trihydroxycholan-24-oic acid

More details:

• Systematic name

  (4R)-4-[(3S,4S,5S,10R,12S,13R)-3,4,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

• SMILES

  C[C@H](CCC(=O)O)C1CCC2[C@@]1([C@H](CC3C2CC[C@H]4[C@@]3(CC[C@@H]([C@H]4O)O)C)O)C

• Std. InChi

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

• Std. InChIKey

  FRYVQXCDSBCDAU-UPASIMOQSA-N

• Cite this record

  CSID:34501355, http://www.chemspider.com/Chemical-Structure.34501355.html (accessed 21:52, Apr 25, 2024)