(3α,5β,6α,7α,17ξ)-3,6,7-Trihydroxycholan-24-oic acid

More details:

• Systematic name

  (3alpha,5beta,6alpha,7alpha,17xi)-3,6,7-Trihydroxycholan-24-oic acid

• SMILES

  [H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)[C@H](O)[C@]2([H])C[C@H](O)CC[C@]12C C[C@H](CCC(=O)O)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

• Std. InChi

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

• Std. InChIKey

  DKPMWHFRUGMUKF-NNFRHCBVSA-N

• Cite this record

  CSID:59651444, http://www.chemspider.com/Chemical-Structure.59651444.html (accessed 23:20, Mar 21, 2023)