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

More details:

• Systematic name

  (4R)-4-[(3S,4S,5S,10R,13R)-3,4-dihydroxy-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(CCC3C2CC[C@H]4[C@@]3(CC[C@@H]([C@H]4O)O)C)C

• Std. InChi

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

• Std. InChIKey

  LKUNZSUKADSCME-RMUKQWOFSA-N

• Cite this record

  CSID:34501354, http://www.chemspider.com/Chemical-Structure.34501354.html (accessed 22:00, Apr 29, 2024)