S-[(11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl] 2,2-bis[(²H₃)methyl](²H₃)propanethioate

More details:

• Systematic name

  S-[(11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl] 2,2-bis[(~2~H_3_)methyl](~2~H_3_)propanethioate

• SMILES

  C([2H])([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C(=O)SCC(=O)[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](C[C@@]21C)O)O [2H]C([2H])([2H])C(C(=O)SCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O)(C([2H])([2H])[2H])C([2H])([2H])[2H]

• Std. InChi

  InChI=1S/C26H38O5S/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-19,21,28,31H,6-11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1/i1D3,2D3,3D3

• Std. InChIKey

  BISFDZNIUZIKJD-ODSQYUMMSA-N

• Cite this record

  CSID:58784405, http://www.chemspider.com/Chemical-Structure.58784405.html (accessed 21:10, Apr 25, 2024)