57-83-0

黃體酮(57-83-0)質(zhì)譜(MS)

產(chǎn)品名稱:黃體酮

分子式:C21H30O2

分子量: 314.46

InChI:InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1

InChIKey: RJKFOVLPORLFTN-LEKSSAKUSA-N

Smiles:C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)C)CC3)CC2

Mass

MS2004-02325WA      
progesterone
C21H30O2            (Mass of molecular ion:    314)

   Source Temperature: 250 °C
   Sample Temperature:  35 °C
   Direct, 70 eV

      18.0       1.0
      27.0       1.4
      29.0       2.2
      39.0       2.8
      41.0      10.3
      43.0      40.5
      53.0       5.7
      55.0      10.8
      65.0       3.9
      66.0       1.5
      67.0      12.5
      68.0       1.6
      69.0       2.9
      71.0       8.1
      77.0      13.0
      78.0       3.2
      79.0      21.5
      80.0       3.2
      81.0      14.1
      82.0       1.4
      83.0       2.5
      84.0       6.1
      85.0       7.8
      86.0       1.1
      91.0      24.8
      92.0       4.3
      93.0      19.5
      94.0       7.1
      95.0      17.7
      96.0       3.0
      97.0       4.4
     100.5       1.3
     103.0       2.2
     104.0       1.5
     105.0      20.0
     106.0       5.5
     107.0      19.5
     108.0       5.3
     109.0      13.2
     110.0       3.3
     111.0       4.4
     115.0       3.3
     116.0       1.6
     117.0       7.2
     118.0       2.6
     119.0      13.9
     120.0       8.1
     121.0      15.4
     122.0      11.8
     123.0      16.7
     124.0     100.0
     125.0      12.1
     126.0       1.0
     128.0       2.6
     129.0       3.9
     130.0       1.9
     131.0      11.3
     132.0       6.9
     133.0      23.1
     134.0      12.3
     135.0      15.7
     136.0       7.9
     137.0      12.4
     138.0       4.2
     141.0       1.7
     142.0       1.4
     143.0       4.9
     144.0       2.7
     145.0      11.4
     146.0       5.2
     147.0      25.6
     148.0       8.2
     149.0      14.5
     150.0       3.0
     151.0       1.2
     155.0       2.6
     156.0       1.2
     157.0       4.8
     158.0       2.3
     159.0      11.6
     160.0       3.8
     161.0       7.2
     162.0       3.2
     163.0       4.8
     164.0       1.1
     169.0       1.9
     170.0       1.2
     171.0       5.1
     172.0       4.2
     173.0      15.8
     174.0       6.5
     175.0       6.0
     176.0       3.3
     177.0       4.7
     178.0       2.1
     183.0       2.3
     184.0       1.4
     185.0       5.7
     186.0       2.8
     187.0      14.0
     188.0       4.4
     189.0       3.8
     190.0      13.3
     191.0      27.4
     192.0       4.7
     193.0       1.4
     197.0       2.4
     198.0       1.2
     199.0       3.3
     200.0       2.3
     201.0       7.2
     202.0       4.1
     203.0       2.0
     205.0       1.0
     211.0       8.0
     212.0       2.3
     213.0       4.0
     214.0       3.0
     215.0       4.2
     216.0       3.0
     225.0       3.1
     226.0       2.6
     227.0       8.5
     228.0       5.5
     229.0      59.7
     230.0      14.3
     231.0       6.0
     232.0       1.9
     238.0       1.1
     239.0       3.2
     241.0       1.4
     243.0       4.4
     244.0      21.6
     245.0       4.0
     253.0       5.4
     254.0       5.1
     255.0       1.6
     256.0       3.4
     257.0       7.6
     258.0       2.2
     267.0       1.0
     269.0       1.2
     270.0       2.0
     271.0       7.8
     272.0      77.7
     273.0      15.8
     274.0       1.9
     281.0       3.2
     286.0       2.6
     296.0       7.3
     297.0       2.3
     299.0      12.4
     300.0       2.8
     314.0      87.5
     315.0      20.7
     316.0       3.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₁ H₃₀ O₂	0.035 g : 0.5 ml CDCl₃
progesterone

    Assign.     Shift(ppm)

      A             5.737
      B             2.544
      C             2.40
      D          2.47 to 2.33
      E             2.289
      F     *2      2.187
      G             2.130
      J             2.07
      K             2.05
      L             1.870
      M     *1      1.71
      N     *2      1.69
      P             1.65
      Q             1.565
      R             1.46
      S             1.45
      T     *1      1.28
      U             1.192
      V             1.19
      W             1.057
      X             0.992
      Y             0.670
     
     ASSIGNED BY H-H AND C-H COSY.

     Hz     ppm     Int.

   2293.46   5.739    106
   2292.60   5.737    110
   2291.87   5.735    110
   1025.76   2.567     39
   1016.72   2.545     78
   1007.81   2.522     36
    977.05   2.445     32
    974.37   2.439     54
    972.05   2.433     39
    969.36   2.426     50
    964.60   2.414     33
    962.77   2.410     34
    960.08   2.403     77
    957.52   2.396     38
    955.08   2.390     55
    950.81   2.380     53
    949.71   2.377     48
    949.22   2.376     48
    947.51   2.371     48
    945.68   2.367     70
    943.85   2.362     43
    942.50   2.359     46
    941.77   2.357     42
    923.71   2.312     38
    921.14   2.305     43
    919.31   2.301     44
    916.87   2.295     40
    881.84   2.207     40
    879.88   2.202     40
    870.73   2.179     45
    869.02   2.175     39
    859.74   2.152     31
    856.81   2.144     33
    851.20   2.130   1000
    835.08   2.090     42
    832.15   2.083     45
    827.03   2.070     56
    824.22   2.063     67
    822.75   2.059     47
    819.34   2.051     32
    814.21   2.038     39
    811.04   2.030     42
    809.20   2.025     37
    755.98   1.892     30
    752.69   1.884     31
    739.75   1.851     31
    702.15   1.757     34
    697.14   1.745     36
    695.68   1.741     36
    688.60   1.724     65
    686.77   1.719     54
    683.11   1.710     84
    680.18   1.702     35
    677.49   1.696     55
    674.19   1.687     57
    669.07   1.675     47
    665.77   1.666     36
    663.94   1.662     34
    659.79   1.651     52
    658.33   1.648     33
    657.23   1.645     38
    654.79   1.639     32
    651.86   1.632     46
    650.39   1.628     39
    633.06   1.585     33
    629.52   1.576     30
    621.58   1.556     36
    618.16   1.547     32
    593.63   1.486     32
    591.31   1.480     33
    582.76   1.459     97
    578.86   1.449     30
    574.10   1.437     70
    499.27   1.250     44
    483.64   1.211     47
    476.68   1.193    622
    471.31   1.180     40
    466.67   1.168     36
    464.72   1.163     30
    407.96   1.021     31
    403.56   1.010     35
    395.87   0.991     30
    392.09   0.982     33
    267.70   0.670    673

in CDCl3