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网站主页CAS数据库列表 80-75-1更多图谱11ALPHA-孕酮(80-75-1)核磁图(13CNMR)

11ALPHA-孕酮

产品名称 11ALPHA-孕酮

CAS号80-75-1

分子式C21H30O3

分子量330.47

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  • Mass

    MS-NW-2232          
    11alpha-hydroxy-4-pregnene-3,20-dione
    C21H30O3            (Mass of molecular ion:    330)
    

       Source Temperature: 240 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          15.0       4.0
          17.0       3.0
          18.0      16.9
          26.0       1.2
          27.0       9.0
          28.0       2.9
          29.0       8.4
          39.0      11.1
          40.0       2.2
          41.0      25.3
          42.0       1.8
          43.0     100.0
          44.0       4.0
          45.0       2.4
          51.0       4.1
          52.0       2.3
          53.0      12.1
          54.0       2.0
          55.0      19.3
          56.0       1.1
          57.0       3.0
          58.0       2.0
          63.0       1.8
          65.0       6.7
          66.0       2.6
          67.0      14.1
          68.0       2.1
          69.0       6.4
          70.0       1.4
          71.0      14.9
          72.0       1.2
          77.0      16.8
          78.0       5.4
          79.0      22.9
          80.0       4.9
          81.0      18.8
          82.0       3.5
          83.0       6.3
          84.0       5.2
          85.0      13.5
          86.0       1.2
          89.0       1.6
          91.0      29.0
          92.0       5.2
          93.0      18.3
          94.0       6.8
          95.0      17.3
          96.0       5.2
          97.0       7.7
          98.0       3.8
         103.0       3.4
         104.0       2.7
         105.0      20.7
         106.0       9.3
         107.0      19.7
         108.0       8.6
         109.0      19.6
         110.0      10.9
         111.0       4.9
         113.0       1.1
         115.0       6.9
         116.0       2.8
         117.0       8.8
         118.0       4.5
         119.0      17.2
         120.0      13.3
         121.0      19.0
         122.0      26.4
         123.0      46.2
         124.0      81.1
         125.0      22.4
         126.0       2.1
         127.0       2.2
         128.0       5.9
         129.0       8.0
         130.0       3.9
         131.0      14.9
         132.0       8.2
         133.0      13.6
         134.0      12.7
         135.0      12.1
         136.0       8.7
         137.0      27.4
         138.0       6.1
         139.0       1.5
         141.0       4.7
         142.0       3.4
         143.0       9.9
         144.0       6.2
         145.0      19.0
         146.0       8.6
         147.0      24.0
         148.0       8.0
         149.0       7.7
         150.0       2.8
         151.0       2.9
         152.0       2.2
         153.0       2.4
         154.0       1.5
         155.0       5.5
         156.0       3.1
         157.0       8.8
         158.0       4.5
         159.0      11.6
         160.0       5.7
         161.0      10.8
         162.0       6.8
         163.0      51.7
         164.0       8.6
         165.0       4.7
         166.0       1.8
         167.0       2.9
         168.0       1.9
         169.0       5.5
         170.0       4.5
         171.0       8.3
         172.0       5.6
         173.0       9.9
         174.0       5.7
         175.0       9.1
         176.0       4.6
         177.0       3.8
         178.0       2.5
         179.0       2.9
         180.0       1.5
         181.0       2.7
         182.0       1.5
         183.0       4.5
         184.0       2.5
         185.0       5.3
         186.0       3.1
         187.0       4.3
         188.0       3.3
         189.0       9.1
         190.0      18.9
         191.0       6.4
         192.0       2.6
         193.0       4.2
         194.0       1.8
         195.0       3.1
         196.0       1.6
         197.0       3.7
         198.0       2.4
         199.0       5.8
         200.0       2.7
         201.0       2.5
         202.0       2.7
         203.0       2.8
         204.0       3.0
         205.0       2.0
         206.0      17.1
         207.0      14.7
         208.0       3.6
         209.0       7.0
         210.0       3.0
         211.0       4.3
         212.0       3.2
         213.0       5.2
         214.0       3.0
         215.0       2.7
         216.0       1.5
         217.0       2.1
         218.0       1.1
         219.0       3.0
         220.0       1.3
         221.0       2.1
         222.0       1.5
         223.0       3.5
         224.0       2.8
         225.0       4.5
         226.0       3.4
         227.0      16.7
         228.0       5.1
         229.0       3.9
         230.0       2.2
         231.0       1.7
         232.0       1.7
         233.0       1.6
         234.0       1.0
         235.0       1.8
         236.0       1.2
         237.0       2.2
         238.0       1.4
         239.0       3.9
         240.0       1.9
         241.0       4.7
         242.0       8.0
         243.0       3.4
         244.0       1.8
         245.0       2.7
         246.0       1.3
         247.0       1.6
         248.0       1.6
         249.0       1.1
         250.0       1.9
         251.0       4.4
         252.0       2.0
         253.0       2.1
         254.0       2.0
         255.0       3.7
         256.0       1.7
         257.0       4.2
         258.0       1.4
         259.0       2.0
         260.0       5.6
         261.0       2.5
         264.0       1.0
         265.0       1.3
         266.0       2.0
         267.0       1.9
         268.0       4.8
         269.0      13.0
         270.0       6.9
         271.0       1.8
         272.0       1.4
         273.0       2.3
         274.0       2.1
         276.0       2.9
         277.0       1.5
         278.0       1.1
         279.0       6.0
         280.0       1.8
         283.0       1.1
         284.0       5.4
         285.0       4.0
         286.0       1.8
         287.0       3.0
         288.0       2.4
         292.0       1.7
         294.0       9.9
         295.0       3.7
         296.0       1.4
         297.0      14.3
         298.0       3.6
         302.0       5.0
         303.0       1.2
         310.0       1.6
         312.0      38.1
         313.0       9.3
         314.0       1.9
         315.0       1.7
         328.0       1.1
         330.0      32.8
         331.0       7.4
         332.0       1.3
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C21 H30 O3 0.056 g : 0.5 ml CDCl3
    11alpha-hydroxy-4-pregnene-3,20-dione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.735 B 4.038 C 2.696 D 2.576 E 2.43 F 2.40 G 2.35 J 2.33 K 2.30 L *1 2.18 M 2.141 N 2.04 P 2.03 Q 1.857 R *1 1.78 to 1.68 S 1.540 T 1.54 U 1.326 V 1.35 to 1.23 W 1.171 X 1.113 Y 0.697 ASSIGNED BY H-H COSY.

         Hz     ppm     Int.
    

       2292.11   5.736    116
       1084.96   2.715     46
       1071.04   2.680     50
       1029.54   2.577     56
       1020.39   2.554     34
        977.05   2.445     44
        975.59   2.442     39
        972.29   2.433     40
        963.38   2.411     55
        961.18   2.406     37
        958.62   2.399     56
        956.18   2.393     36
        954.59   2.389     33
        948.73   2.374     59
        943.97   2.362     65
        938.35   2.348     44
        936.89   2.345     71
        934.94   2.340     69
        934.20   2.338     69
        932.13   2.333     65
        930.79   2.330     46
        925.78   2.317     36
        922.00   2.308     61
        918.46   2.299     49
        878.66   2.199     36
        869.51   2.176     36
        867.80   2.172     43
        862.92   2.160     48
        855.83   2.142   1000
        852.54   2.134     32
        823.61   2.061     33
        819.95   2.052    109
        813.23   2.035    124
        809.81   2.027     44
        696.29   1.743     32
        692.75   1.734     47
        691.28   1.730     49
        688.84   1.724     72
        684.33   1.713     37
        679.69   1.701     35
        626.10   1.567     59
        614.87   1.539     86
        603.64   1.511     48
        535.28   1.340     39
        530.27   1.327    613
        523.07   1.309     41
        519.90   1.301     33
        517.82   1.296     38
        512.70   1.283     49
        509.64   1.276     43
        507.81   1.271     41
        478.15   1.197     57
        467.77   1.171     86
        457.40   1.145     53
        278.81   0.698    560
    

in CDCl3



KBr disc



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