11ALPHA-HYDROXYPROGESTERONE ACETATE(2268-98-6) ¹³C NMR

Product Name11ALPHA-HYDROXYPROGESTERONE ACETATE

Molecular FormulaC23H32O4

Molecular Weight372.5

InChIInChI=1/C23H32O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(26)9-10-22(15,3)21(17)20(27-14(2)25)12-23(18,19)4/h11,17-21H,5-10,12H2,1-4H3/t17-,18+,19-,20+,21+,22-,23+/s3

InChIKey IWRPVTXREVYBHT-CXCZMGEANA-N

Smiles[C@]12(CCC3=CC(=O)CC[C@]3(C)[C@]1([C@H](OC(=O)C)C[C@]1(C)[C@@H](C(=O)C)CC[C@@]21[H])[H])[H] |&1:0,9,11,12,18,20,26,r|

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¹HNMR

¹³CNMR

IR1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₃ H₃₂ O₄	0.046 g : 0.5 ml CDCl₃
3,20-dioxo-4-pregnen-11alpha-yl acetate

    Assign.     Shift(ppm)

      A             5.760
      B             5.253
      C             2.565
      K             2.115
      L             2.046
      M             1.272
      N             0.739

     Hz     ppm     Int.

   2102.29   5.261     51
   2097.17   5.248     51
   1023.93   2.563     54
    971.80   2.432     37
    966.92   2.420     56
    960.82   2.405     47
    955.20   2.391     89
    950.32   2.378     71
    948.85   2.375     53
    943.48   2.361     57
    940.06   2.353     37
    938.35   2.348     61
    936.40   2.344     67
    935.79   2.342     69
    931.88   2.332     68
    927.86   2.322     36
    919.68   2.302     40
    850.59   2.129     44
    845.21   2.115    904
    817.75   2.047   1000
    800.42   2.003     37
    795.65   1.991     39
    791.26   1.980     41
    786.99   1.970     62
    785.03   1.965     61
    780.64   1.954     47
    700.32   1.753     42
    692.38   1.733     72
    688.48   1.723     46
    599.00   1.499     84
    588.13   1.472    142
    577.39   1.445     69
    524.05   1.312     40
    519.90   1.301     49
    508.42   1.273    604
    295.65   0.740    479

in CDCl3