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网站主页CAS数据库列表 55812-90-3更多图谱醋酸地塞米松一水合物(55812-90-3)红外图谱(IR2)

醋酸地塞米松一水合物

产品名称 醋酸地塞米松一水合物

CAS号55812-90-3

分子式C24H31FO6.H2O

分子量452.52


  • 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
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C24 H31 F O6 0.037 g : 0.5 ml DMSO-d6
    9alpha-fluoro-11beta,17,21-trihydroxy-16alpha-methyl-1,4-pregnadiene-3,20-dione21-monoacetate
    ChemicalStructure
        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
    

in DMSO-d6



KBr disc



nujol mull