7738-93-4

泼尼松EP杂质K(7738-93-4)核磁图(¹³CNMR)

分子式:C19H22O3

分子量: 298.38

InChI:InChI=1S/C19H22O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-14,17H,3-6,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1

InChIKey: RZACPWSZIQKVDY-IRIMSJTPSA-N

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

Mass

MS-NW-2329          
1,4-androstadiene-3,11,17-trione
C19H22O3            (Mass of molecular ion:    298)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0       1.0
      17.0       1.8
      18.0       9.5
      27.0      12.8
      28.0       4.7
      29.0       6.3
      39.0      20.7
      40.0       5.1
      41.0      36.5
      42.0       2.5
      43.0       7.9
      50.0       2.0
      51.0       9.2
      52.0       5.0
      53.0      17.1
      54.0       2.6
      55.0      16.7
      56.0       1.1
      57.0       1.2
      63.0       4.8
      64.0       2.6
      65.0      13.6
      66.0       4.3
      67.0      16.6
      68.0       7.9
      69.0      12.9
      70.0       1.0
      71.0       2.8
      75.0       1.2
      76.0       1.7
      77.0      23.1
      78.0       7.8
      79.0      18.7
      80.0       4.9
      81.0      10.6
      82.0       4.2
      83.0       2.9
      85.0       1.4
      89.0       2.9
      90.0       1.4
      91.0      49.0
      92.0      13.4
      93.0      19.5
      94.0       6.1
      95.0       7.7
      96.0       5.9
      97.0       9.8
      98.0       1.1
      99.0       1.5
     102.0       2.0
     103.0       6.1
     104.0       2.9
     105.0      14.7
     106.0       6.6
     107.0       9.9
     108.0       9.0
     109.0       5.8
     110.0      10.6
     111.0       7.3
     112.0       1.4
     115.0      18.1
     116.0       9.0
     117.0      22.9
     118.0       5.6
     119.0       5.5
     120.0       7.2
     121.0      66.2
     122.0      20.1
     123.0       4.6
     124.0       1.1
     127.0       4.3
     128.0       9.5
     129.0      10.5
     130.0       6.2
     131.0      47.8
     132.0      28.3
     133.0      10.5
     134.0      19.2
     135.0       9.5
     136.0       4.0
     137.0       1.9
     138.0       1.8
     139.0       7.0
     140.0       1.1
     141.0       5.9
     142.0       4.1
     143.0       7.5
     144.0       5.5
     145.0      25.1
     146.0      11.7
     147.0      16.1
     148.0       4.4
     149.0       3.7
     152.0       1.7
     153.0       2.2
     154.0       1.3
     155.0       3.3
     156.0       4.8
     157.0       9.7
     158.0      15.8
     159.0      45.2
     160.0      86.0
     161.0      21.9
     162.0       3.3
     163.0       2.0
     164.0       1.2
     165.0       2.9
     166.0       1.0
     167.0       1.4
     168.0       1.3
     169.0       3.1
     170.0       3.3
     171.0      14.0
     172.0       9.3
     173.0      13.8
     174.0       5.6
     175.0       1.9
     176.0       1.1
     177.0       4.2
     178.0       1.6
     179.0       1.3
     181.0       2.4
     182.0       1.5
     183.0       3.8
     184.0      14.7
     185.0      19.8
     186.0      28.1
     187.0      15.3
     188.0       5.4
     189.0       2.0
     194.0       1.1
     195.0       3.6
     196.0       3.0
     197.0       5.4
     198.0       5.0
     199.0      16.9
     200.0       5.8
     201.0       1.9
     202.0       2.6
     207.0       1.0
     208.0       1.2
     209.0       5.5
     210.0       3.3
     211.0       6.7
     212.0      11.4
     213.0       8.0
     214.0       5.9
     215.0       1.7
     221.0       1.6
     222.0       7.5
     223.0       9.0
     224.0       6.5
     225.0       5.6
     226.0      19.7
     227.0      10.1
     228.0       3.0
     235.0       1.3
     236.0       3.9
     237.0       8.0
     238.0       7.0
     239.0       7.9
     240.0       7.9
     241.0       5.9
     242.0       6.4
     243.0       1.6
     247.0       1.4
     251.0       2.6
     252.0       7.7
     253.0       3.9
     254.0      38.7
     255.0      18.3
     256.0       7.6
     257.0       1.6
     262.0       2.3
     263.0       2.0
     265.0       4.6
     266.0       1.1
     267.0       1.1
     269.0       6.6
     270.0      24.8
     271.0       5.0
     272.0       1.1
     280.0      14.9
     281.0       3.8
     283.0       6.7
     284.0       1.5
     298.0     100.0
     299.0      20.8
     300.0       5.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₉ H₂₂ O₃	0.047 g : 0.5 ml CDCl₃
1,4-androstadiene-3,11,17-trione

    Assign.     Shift(ppm)

      A             7.648
      B             6.202
      C             6.09
      D          2.86 to 1.01
      E             1.470
      F             0.91

     Hz     ppm     Int.

    690.44   7.710    148
    680.38   7.597    175
    561.38   6.269    107
    559.44   6.247    136
    551.19   6.155     65
    549.31   6.134    144
    545.81   6.095    112
    545.19   6.088    104
    544.00   6.075     71
    232.94   2.601     86
    231.63   2.587     37
    230.13   2.570     79
    226.31   2.527     52
    222.88   2.489     73
    220.13   2.458    329
    218.31   2.438    138
    217.31   2.427    137
    212.50   2.373    186
    208.63   2.330     56
    206.69   2.308     51
    205.75   2.298     57
    205.31   2.293     60
    204.50   2.284     72
    202.06   2.257     51
    201.56   2.251     51
    200.44   2.239     57
    199.63   2.230     65
    199.19   2.225     65
    198.63   2.218     65
    198.06   2.212     68
    196.31   2.192     58
    195.50   2.183     63
    194.44   2.172     75
    193.88   2.165     75
    192.69   2.152     84
    192.38   2.149     84
    191.06   2.134     87
    187.69   2.096     47
    186.81   2.086     44
    183.06   2.044    142
    182.13   2.034    140
    181.81   2.031    138
    177.19   1.979     35
    171.81   1.919     62
    171.00   1.910     60
    168.69   1.884     42
    168.38   1.881     43
    167.69   1.873     47
    167.31   1.869     47
    166.69   1.862     41
    161.31   1.802     39
    160.31   1.790     51
    160.00   1.787     51
    157.75   1.762     36
    133.50   1.491     52
    131.63   1.470   1000
     82.06   0.917    576
     81.50   0.911    552

in CDCl3