(11β)-11,17-Dihydroxy-21-sulfanyl(9,11,12,12-²H₄)pregn-4-ene-3,20-dione

More details:

• Systematic name

  (11beta)-11,17-Dihydroxy-21-sulfanyl(9,11,12,12-~2~H_4_)pregn-4-ene-3,20-dione

• SMILES

  C[C@@]12CCC(=O)C=C2CC[C@H]3[C@@H]4CC[C@](C(=O)CS)([C@@]4(C)C([2H])([2H])[C@@]([2H])([C@@]31[2H])O)O [2H][C@]12[C@@H](CCC3=CC(=O)CC[C@@]31C)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)CS)O

• Std. InChi

  InChI=1S/C21H30O4S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-26)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1/i10D2,16D,18D

• Std. InChIKey

  YWDBSCORAARPPF-BJJKTIQHSA-N

• Cite this record

  CSID:58784404, http://www.chemspider.com/Chemical-Structure.58784404.html (accessed 05:03, May 7, 2024)