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网站主页CAS数据库列表 64-85-7更多图谱去氧皮质酮(64-85-7)核磁图(13CNMR)

去氧皮质酮

产品名称 去氧皮质酮

CAS号64-85-7

分子式C21H30O3

分子量330.46

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  • Mass

    MS-NW-6959          
    21-hydroxy-4-pregnen-3,20-dione
    C21H30O3            (Mass of molecular ion:    330)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          17.0       1.2
          18.0       4.0
          27.0       3.7
          29.0       4.9
          31.0       6.7
          39.0       5.5
          40.0       1.1
          41.0      16.5
          42.0       1.0
          43.0       6.5
          51.0       1.6
          52.0       1.0
          53.0       7.6
          54.0       1.1
          55.0      17.1
          56.0       1.3
          57.0       1.3
          65.0       4.6
          66.0       1.8
          67.0      13.2
          68.0       1.5
          69.0       4.4
          71.0       1.1
          77.0      12.1
          78.0       3.4
          79.0      17.3
          80.0       2.7
          81.0      14.4
          82.0       1.8
          83.0       3.2
          85.0       1.3
          86.0       1.8
          86.5       1.2
          87.0       1.1
          91.0      19.5
          92.0       3.3
          93.0      16.0
          93.5       1.7
          94.0       3.5
          95.0      18.2
          96.0       2.0
          97.0       3.8
         100.0       1.2
         100.5       4.3
         101.0       1.1
         103.0       1.7
         104.0       1.3
         105.0      14.0
         106.0       2.5
         107.0      13.7
         108.0       3.0
         109.0       8.2
         110.0       1.2
         111.0       2.1
         115.0       3.3
         116.0       1.4
         117.0       5.0
         118.0       1.4
         119.0       7.7
         120.0       2.1
         121.0      13.0
         121.5       3.8
         122.0       4.0
         123.0      12.9
         124.0       6.0
         125.0       1.5
         127.0       1.0
         128.0       2.2
         128.5       1.1
         129.0       3.3
         130.0       1.4
         131.0       6.5
         132.0       2.0
         133.0      11.6
         134.0       3.4
         135.0      13.0
         135.5       2.0
         136.0       3.0
         137.0       5.4
         139.0       1.0
         141.0       1.5
         142.0       1.1
         143.0       3.8
         144.0       1.5
         145.0      10.6
         146.0       2.4
         147.0      29.9
         148.0       4.9
         149.0      15.4
         150.0       2.5
         155.0       1.3
         157.0       5.2
         158.0       1.4
         159.0       7.4
         160.0       2.0
         161.0      13.4
         162.0       2.2
         163.0       5.7
         164.0       1.4
         165.0       6.3
         166.0       4.8
         167.0       1.0
         169.0       1.2
         171.0       4.6
         172.0       2.0
         173.0       4.7
         174.0       1.4
         175.0       6.6
         176.0       1.6
         177.0       2.1
         178.0       1.3
         183.0       1.7
         185.0       2.2
         187.0       3.6
         188.0       1.3
         189.0       2.4
         196.0       2.3
         197.0       3.2
         198.0       1.0
         199.0       1.3
         200.0       1.1
         201.0       2.1
         211.0       1.9
         213.0       2.4
         215.0       3.1
         225.0       1.9
         227.0       3.8
         228.0       1.4
         229.0       7.7
         230.0       1.8
         243.0       3.2
         244.0       2.3
         245.0       1.0
         253.0      33.8
         254.0       7.1
         255.0       1.7
         269.0       3.0
         270.0       2.2
         271.0      52.6
         272.0      11.2
         273.0       1.7
         297.0       2.1
         299.0     100.0
         300.0      22.0
         301.0       4.3
         312.0       1.7
         315.0       1.3
         330.0       5.3
         331.0       1.3
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C21 H30 O3 0.045 g : 0.5 ml CDCl3
    21-hydroxy-4-pregnen-3,20-dione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.738 B *1 4.210 C *1 4.183 D 3.32 E 2.477 F 2.41 G 2.48 to 2.31 I 2.292 J *2 2.235 K 2.036 L 1.951 M 1.874 N *2 1.78 O *3 1.77 P 1.716 Q 1.65 R 1.590 S 1.436 T 1.38 U *3 1.36 V 1.20 W 1.190 X 1.071 Y 0.982 Z 0.694 ASSIGNED BY H-H AND C-H COSY.

         Hz     ppm     Int.
    

       2293.21   5.739    183
       2292.36   5.736    183
       1680.05   4.204    162
       1674.07   4.189    170
       1326.05   3.319     64
       1325.56   3.317     65
       1000.12   2.503     53
        990.72   2.479    116
        985.23   2.466     58
        981.81   2.457     74
        975.83   2.442     57
        973.39   2.436     94
        971.07   2.430     49
        968.26   2.423     85
        967.04   2.420     56
        966.19   2.418     59
        964.97   2.415     55
        964.23   2.413     55
        959.11   2.400    127
        954.10   2.388     91
        952.39   2.384     63
        950.20   2.378     87
        946.90   2.370    104
        946.04   2.368    100
        945.19   2.366    110
        941.89   2.357     69
        924.93   2.315     73
        922.49   2.309     74
        920.65   2.304     74
        918.21   2.298     65
        910.28   2.278     54
        908.20   2.273     72
        906.13   2.268     50
        897.34   2.246     70
        888.31   2.223     55
        886.35   2.218     46
        825.07   2.065     45
        821.78   2.057     55
        820.19   2.053     51
        816.89   2.045     45
        811.77   2.032     59
        808.47   2.023     66
        806.76   2.019     58
        803.47   2.011     46
        785.77   1.967     89
        782.59   1.959     51
        776.86   1.944     62
        774.05   1.937     72
        770.87   1.929     43
        754.52   1.888     49
        744.75   1.864     44
        744.02   1.862     45
        741.70   1.856     52
        721.68   1.806     66
        718.99   1.800     92
        716.67   1.794     64
        710.94   1.779    138
        708.37   1.773     86
        703.00   1.760     81
        699.46   1.751     85
        694.21   1.738     59
        685.42   1.716     65
        680.42   1.703     61
        666.75   1.669     44
        663.33   1.660     48
        649.90   1.627     80
        646.24   1.618     78
        638.79   1.599     54
        635.38   1.590     52
        627.44   1.570     60
        624.02   1.562     52
        587.40   1.470     52
        583.86   1.461     44
        575.07   1.439     60
        573.97   1.437     55
        571.53   1.431     68
        571.04   1.429     68
        569.58   1.426    109
        560.91   1.404    121
        553.34   1.385     53
        551.51   1.380     68
        547.73   1.371     76
        541.14   1.355     54
        538.57   1.348     50
        535.16   1.340     64
        488.65   1.223     65
        481.69   1.206     79
        476.07   1.192   1000
        471.19   1.180     68
        469.48   1.175     51
        436.65   1.093     45
        436.40   1.092     45
        433.23   1.085     42
        432.25   1.082     43
        400.76   1.003     48
        393.19   0.984     54
        389.77   0.976     58
        277.59   0.695    990
    

in CDCl3



KBr disc



nujol mull