(3α,5β,6β,7α)-3,6,7-Trihydroxy(2,2,4,4-²H₄)cholan-24-oic acid

More details:

• Systematic name

  (3alpha,5beta,6beta,7alpha)-3,6,7-Trihydroxy(2,2,4,4-~2~H_4_)cholan-24-oic acid

• SMILES

  [2H]C1([2H])C[C@@]2(C)[C@H]([C@H](O)[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)CC[C@H]23)C([2H])([2H])[C@@H]1O

• 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/i8D2,12D2

• Std. InChIKey

  DKPMWHFRUGMUKF-QGGLCGBNSA-N

• Cite this record

  CSID:112747211, http://www.chemspider.com/Chemical-Structure.112747211.html (accessed 08:52, Apr 25, 2024)