Prednisone-d7

More details:

• Systematic name

  17,21-Dihydroxy(2,4,6,6,9,12,12-~2~H_7_)pregna-1,4-diene-3,11,20-trione

• SMILES

  C[C@@]12C=C([2H])C(=O)C([2H])=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@](C(=O)CO)([C@@]4(C)C([2H])([2H])C(=O)[C@@]31[2H])O [2H]C1=C[C@]2(C(=C(C1=O)[2H])C(C[C@@H]3[C@@]2(C(=O)C([C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)([2H])[2H])[2H])([2H])[2H])C

• Std. InChi

  InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1/i3D2,5D,9D,10D2,18D

• Std. InChIKey

  XOFYZVNMUHMLCC-ZDPLQQOCSA-N

• Cite this record

  CSID:58785473, http://www.chemspider.com/Chemical-Structure.58785473.html (accessed 08:39, Apr 18, 2024)