(1β,3α,5β,12β,14ξ,17α,20ξ)-1,3,12-Trihydroxy(2,2,4,4-²H₄)cholan-24-oic acid

More details:

• Systematic name

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

• SMILES

  [2H]C1([2H])[C@@H](O)[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)[C@@H](CCC4[C@@H]3CC[C@@H]2C([2H])([2H])[C@@H]1O)C(C)CCC(O)=O

• Std. InChi

  InChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13?,14-,15+,16+,17+,18?,19+,20-,21-,23+,24-/m1/s1/i10D2,11D2

• Std. InChIKey

  DAKYVYUAVGJDRK-ZHDVLNITSA-N

• Cite this record

  CSID:107446397, http://www.chemspider.com/Chemical-Structure.107446397.html (accessed 10:11, Apr 25, 2024)