醋酸地塞米松一水合物(55812-90-3)核磁图(¹³CNMR)

Mass

MS2014-05033CW      
9alpha-fluoro-11beta,17,21-trihydroxy-16alpha-methyl-1,4-pregnadiene-3,20-dione 21-monoacetate 
C24H31FO6           (Mass of molecular ion:    434)

   Source Temperature: 250 °C
   Sample Temperature:  50 °C
   Direct, 70 eV

      27.0       1.0
      28.0       1.4
      29.0       1.4
      39.0       1.6
      41.0       7.1
      42.0       2.1
      43.0      40.3
      44.0       1.2
      45.0       1.2
      53.0       3.6
      55.0       7.1
      57.0       2.1
      59.0       1.3
      60.0       1.0
      65.0       2.6
      67.0       4.3
      69.0       6.6
      70.0       1.5
      71.0       2.4
      73.0       3.1
      77.0       8.5
      78.0       1.8
      79.0       5.7
      81.0       4.4
      83.0       2.5
      84.0       1.1
      85.0       2.1
      88.0       2.7
      91.0      18.0
      92.0       4.2
      93.0       6.5
      94.0       1.5
      95.0       6.0
      96.0       1.8
      97.0       3.3
      99.0       1.9
     100.0       1.1
     101.0       4.7
     102.0       1.2
     103.0       3.0
     104.0       1.0
     105.0       6.4
     106.0       1.7
     107.0       9.8
     108.0       3.9
     109.0       8.8
     110.0       1.9
     111.0       5.0
     112.0       1.0
     113.0       2.2
     115.0       5.3
     116.0       2.5
     117.0       8.1
     118.0       1.3
     119.0       4.7
     120.0       4.8
     121.0     100.0
     122.0      84.8
     123.0      13.9
     124.0       3.1
     125.0       4.6
     126.0       1.1
     127.0       3.4
     128.0       3.4
     129.0       3.9
     130.0       2.6
     131.0       5.8
     132.0       2.0
     133.0       8.4
     134.0      12.6
     135.0      27.8
     136.0       7.4
     137.0       7.0
     138.0       2.1
     139.0       8.2
     140.0       1.5
     141.0       4.5
     142.0       1.8
     143.0       3.2
     144.0       2.3
     145.0       8.1
     146.0       6.2
     147.0      33.2
     148.0       5.5
     149.0       4.5
     150.0       2.2
     151.0       3.7
     152.0       3.8
     153.0       5.0
     154.0       1.4
     155.0       2.6
     156.0       1.1
     157.0       3.4
     158.0       3.4
     159.0      14.5
     160.0      12.5
     161.0      10.4
     162.0       2.3
     163.0       6.5
     164.0       2.4
     165.0       6.6
     166.0       2.8
     167.0       2.8
     168.0       1.1
     169.0       2.7
     170.0       1.5
     171.0       7.8
     172.0       3.0
     173.0       7.7
     174.0       2.6
     175.0       4.4
     176.0       1.7
     177.0       4.5
     178.0       2.8
     179.0       5.9
     180.0       1.9
     181.0       3.0
     182.0       1.4
     183.0       3.0
     184.0       3.0
     185.0       9.7
     186.0       7.3
     187.0      13.0
     188.0       3.7
     189.0       7.7
     190.0       2.3
     191.0       5.5
     192.0       1.8
     193.0       4.4
     194.0       1.7
     195.0       3.9
     196.0       2.0
     197.0       5.2
     198.0       2.5
     199.0       4.2
     200.0       1.8
     201.0       2.4
     202.0       3.3
     203.0       5.5
     204.0       2.3
     205.0       3.9
     206.0       1.8
     207.0       4.4
     208.0       5.1
     209.0       6.0
     210.0       2.9
     211.0       7.1
     212.0       3.7
     213.0       8.2
     214.0       2.8
     215.0       3.7
     216.0       1.2
     217.0       1.7
     219.0       1.6
     220.0       1.0
     221.0       5.1
     222.0       2.9
     223.0      24.9
     224.0       7.4
     225.0      11.2
     226.0       5.8
     227.0       7.0
     228.0       2.2
     229.0       2.2
     231.0       1.2
     233.0       2.4
     235.0       4.2
     236.0      10.2
     237.0      11.0
     238.0       7.3
     239.0       8.6
     240.0       3.5
     241.0       8.1
     242.0       7.5
     243.0       4.4
     244.0       1.8
     245.0       1.3
     247.0       1.3
     249.0       2.6
     250.0       1.4
     251.0       3.7
     252.0       1.9
     253.0      10.6
     254.0       6.6
     255.0       9.1
     256.0       4.6
     257.0       4.0
     258.0       1.4
     259.0       1.2
     261.0       1.7
     262.0       1.8
     263.0       2.5
     264.0       1.2
     265.0       4.1
     266.0       3.4
     267.0       5.3
     268.0       2.4
     269.0       2.7
     270.0       1.0
     271.0       1.2
     273.0       1.4
     274.0       1.8
     275.0       3.7
     276.0       1.5
     277.0       7.7
     278.0       2.6
     279.0       2.8
     280.0       2.2
     281.0       4.4
     282.0       4.0
     283.0       3.1
     284.0       2.9
     285.0       3.2
     286.0       1.4
     290.0       1.0
     291.0       1.5
     293.0       4.2
     294.0       2.0
     295.0      12.6
     296.0       3.7
     297.0       3.6
     298.0       1.2
     299.0       1.1
     301.0       1.1
     303.0       1.6
     304.0       4.1
     305.0       1.6
     306.0       1.3
     307.0       2.1
     308.0       2.0
     309.0       1.5
     311.0       2.5
     312.0       5.3
     313.0       8.1
     314.0       2.2
     315.0      33.9
     316.0       7.5
     317.0       1.4
     318.0       1.5
     321.0       1.6
     323.0       1.2
     324.0       2.0
     325.0       2.2
     326.0       2.3
     327.0       1.6
     328.0       1.1
     330.0       2.2
     331.0       3.7
     332.0       1.6
     333.0      15.3
     334.0       3.7
     336.0       2.4
     337.0       1.1
     338.0       2.4
     339.0       2.2
     340.0       1.2
     341.0       1.3
     342.0       3.6
     343.0       1.4
     346.0       1.7
     347.0       1.9
     354.0       7.5
     355.0       2.9
     356.0       1.7
     359.0       1.2
     362.0       3.3
     364.0       1.1
     374.0       4.5
     375.0       1.5
     384.0       9.8
     385.0       2.5
     386.0       1.3
     414.0      12.5
     415.0       3.4
     416.0       1.1
     434.0       3.3
     435.0       1.0

Assign. Shift(ppm) A 7.301 B 6.230 C 6.012 D 5.40 E 5.16 F *1 5.025 G *1 4.782 J 4.15 K 2.88 L 2.62 M 2.43 to 2.28 N 2.20 to 2.09 P 2.093 Q 1.77 R 1.63 S 1.56 T 1.489 U 1.35 V 1.072 W 0.883 X 0.789 assigned by H-H COSY. J(A,B)=10.1 Hz J(B,C)=2.0 Hz J(D,J)=4.9 Hz J(F,G)=-17.6 Hz J(L,M)=-13.7 Hz J(L,Q)=6.0 Hz J(Q,U)=-12.8 Hz J(R,V)=-11.7 Hz J(S,N)=-13.6 Hz J(M,U)=4.9 Hz J(V,N)=8.4 Hz J(V,K)=4.0 Hz J(K,X)=7.2 Hz

     Hz     ppm     Int.

   2922.97   7.314    128
   2912.84   7.289    135
   2496.09   6.246     93
   2494.14   6.241     95
   2485.96   6.221     90
   2484.01   6.216     96
   2402.71   6.013    142
   2161.99   5.410     76
   2157.84   5.400     78
   2063.35   5.163    262
   2018.55   5.051    109
   2000.98   5.007    149
   1919.19   4.803    131
   1901.61   4.759    105
   1152.59   2.884     34
    936.77   2.344     41
    932.01   2.333     42
    924.32   2.313     44
    919.31   2.301     33
    918.82   2.300     35
    918.21   2.298     35
    875.12   2.190     33
    864.87   2.165     41
    861.69   2.157     44
    861.21   2.155     44
    857.67   2.147     41
    853.76   2.137     38
    845.58   2.116     37
    845.34   2.116     37
    836.55   2.094   1000
    658.69   1.649     42
    658.33   1.648     42
    646.48   1.618     41
    632.69   1.584     55
    632.32   1.583     55
    631.47   1.581     55
    618.53   1.548     50
    595.46   1.490    656
    428.47   1.073     41
    353.03   0.884    564
    319.09   0.799    261
    311.89   0.781    260