(3α,5α)-3,21-Dihydroxy(2,2,3,4,4-²H₅)pregnane-11,20-dione

More details:

• Systematic name

  (3alpha,5alpha)-3,21-Dihydroxy(2,2,3,4,4-~2~H_5_)pregnane-11,20-dione

• SMILES

  C[C@@]12CC([2H])([2H])[C@]([2H])(C([2H])([2H])[C@@H]2CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)CC(=O)[C@@H]31)O [2H][C@]1(C(C[C@]2([C@H](C1([2H])[2H])CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)C)([2H])[2H])O

• Std. InChi

  InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,19+,20-,21-/m0/s1/i7D2,9D2,13D

• Std. InChIKey

  XWYBFXIUISNTQG-WWXLSXMFSA-N

• Cite this record

  CSID:58779784, http://www.chemspider.com/Chemical-Structure.58779784.html (accessed 14:19, Apr 26, 2024)