(11β)-11,17-Dihydroxy-3,20-dioxo(2,4,6,6,9,11,12,12-²H₈)pregna-1,4-dien-21-yl acetate

More details:

• Systematic name

  (11beta)-11,17-Dihydroxy-3,20-dioxo(2,4,6,6,9,11,12,12-~2~H_8_)pregna-1,4-dien-21-yl acetate

• SMILES

  CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3CC([2H])([2H])C4=C([2H])C(=O)C([2H])=C[C@]4(C)[C@@]3([2H])[C@]([2H])(C([2H])([2H])[C@@]21C)O)O [2H]C1=C[C@]2(C(=C(C1=O)[2H])C(C[C@@H]3[C@@]2([C@@](C([C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)C)O)C)([2H])[2H])([2H])O)[2H])([2H])[2H])C

• Std. InChi

  InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1/i4D2,6D,10D,11D2,18D,20D

• Std. InChIKey

  LRJOMUJRLNCICJ-DMDLTSEXSA-N

• Cite this record

  CSID:58785028, http://www.chemspider.com/Chemical-Structure.58785028.html (accessed 00:54, May 10, 2024)