(5α)-21-Hydroxy(2,2,4,4,17,21,21-²H₇)pregnane-3,20-dione

More details:

• Systematic name

  (5alpha)-21-Hydroxy(2,2,4,4,17,21,21-~2~H_7_)pregnane-3,20-dione

• SMILES

  C[C@@]12CC([2H])([2H])C(=O)C([2H])([2H])[C@@H]2CC[C@H]3[C@@H]4CC[C@]([2H])(C(=O)C([2H])([2H])O)[C@@]4(C)CC[C@@H]31 [2H][C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC(C(=O)C4([2H])[2H])([2H])[2H])C)C)C(=O)C([2H])([2H])O

• Std. InChi

  InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15-,16-,17-,18+,20-,21-/m0/s1/i7D2,11D2,12D2,18D

• Std. InChIKey

  USPYDUPOCUYHQL-FCPKHVDASA-N

• Cite this record

  CSID:58782871, http://www.chemspider.com/Chemical-Structure.58782871.html (accessed 22:33, Apr 19, 2024)