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Podophyllotoxin

Product Name Podophyllotoxin

CAS518-28-5

MFC22H22O8

MW414.41

¹³CNMR

Mass

MS-NW-9101          
podophyllotoxin
C22H22O8            (Mass of molecular ion:    414)

   Source Temperature: 230 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      18.0       4.6
      28.0       2.2
      55.0       1.7
      75.0       1.0
      76.0       1.5
      77.0       1.5
      85.0       1.2
      91.0       1.1
      93.0       1.2
     103.0       1.1
     111.0       1.2
     115.0       2.7
     117.0       1.1
     119.0       1.0
     121.0       1.0
     125.0       1.5
     126.0       1.3
     127.0       1.7
     131.0       1.8
     133.0       1.0
     134.0       1.5
     135.0       2.5
     138.0       1.4
     139.0       2.1
     140.0       1.0
     141.0       1.8
     143.0       1.8
     145.0       1.2
     147.0       1.0
     149.0       2.0
     150.0       1.3
     151.0       2.4
     152.0       1.8
     153.0       8.5
     154.0       3.4
     155.0       1.5
     159.0       1.3
     161.0       1.4
     162.0       1.4
     163.0       2.4
     164.0       1.2
     165.0       1.8
     166.0       1.0
     167.0       2.2
     168.0      21.8
     169.0      16.3
     170.0       2.2
     171.0       1.4
     172.0       2.5
     173.0       3.4
     175.0       1.2
     176.0       1.7
     181.0      10.3
     182.0       2.0
     183.0       1.2
     185.0       3.1
     187.0       3.5
     188.0       2.0
     189.0       9.3
     190.0       1.7
     193.0       1.1
     195.0       2.5
     197.0       1.5
     198.0       2.4
     199.0       1.7
     200.0       5.9
     201.0       8.6
     202.0       3.8
     205.0       1.0
     207.0       2.1
     208.0       1.5
     209.0       1.5
     210.0       1.1
     211.0       1.3
     212.0       1.3
     215.0       2.0
     217.0       1.3
     218.0       1.3
     219.0       1.0
     221.0       1.1
     223.0       1.5
     225.0       2.3
     226.0       4.0
     227.0       1.7
     228.0       3.5
     229.0       2.8
     233.0       1.3
     235.0       1.1
     237.0       1.2
     238.0       1.4
     239.0       1.9
     240.0       1.1
     241.0       1.1
     245.0       1.3
     246.0       2.3
     247.0       1.3
     249.0       1.3
     251.0       2.4
     252.0       1.1
     253.0       1.3
     254.0       2.7
     255.0       2.5
     263.0       1.5
     265.0       1.5
     267.0       2.3
     268.0       1.6
     269.0       1.9
     270.0       1.0
     271.0       1.3
     277.0       1.5
     278.0       1.2
     279.0       1.9
     281.0       1.1
     282.0       3.0
     283.0       2.9
     284.0       1.3
     285.0       1.4
     290.0       1.5
     291.0       1.5
     292.0       1.2
     293.0       1.8
     294.0       1.1
     295.0       1.4
     297.0       2.8
     298.0       3.4
     299.0       4.5
     300.0       1.2
     301.0       1.0
     305.0       1.6
     306.0       1.8
     307.0       1.9
     308.0       1.8
     309.0       2.0
     311.0       1.5
     312.0       2.5
     313.0       3.7
     314.0       1.9
     315.0       1.2
     319.0       1.4
     320.0       2.5
     321.0       3.9
     322.0       1.7
     323.0       2.6
     324.0       3.1
     325.0       1.6
     327.0       1.1
     329.0       4.4
     330.0       1.0
     335.0       1.3
     336.0       1.2
     337.0       5.6
     338.0       4.2
     339.0       4.4
     340.0       2.7
     341.0       1.5
     351.0       4.3
     352.0       4.0
     353.0       2.5
     354.0       3.6
     355.0       5.0
     356.0       1.4
     365.0       3.8
     366.0       1.6
     367.0       2.1
     368.0       1.4
     369.0       2.9
     378.0       1.4
     379.0       1.4
     381.0       2.1
     383.0       4.1
     384.0       1.1
     394.0       1.5
     395.0       1.3
     396.0       5.0
     397.0       2.2
     398.0       2.1
     399.0       6.4
     400.0       4.0
     412.0       1.0
     414.0     100.0
     415.0      24.0
     416.0       4.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₂ H₂₂ O₈	0.038 g : 0.5 ml CDCl₃
podophyllotoxin

    Assign.     Shift(ppm)

      A             7.112
      B             6.493
      C             6.374
      D     *1      5.974
      E     *1      5.956
      F             4.732
      G             4.575
      J     *2      4.547
      K     *2      4.012
      L             3.799
      M             3.734
      N             2.953
      P             2.81
      Q             2.79
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   2842.41   7.113    128
   2595.34   6.495    163
   2547.73   6.375    283
   2388.18   5.976    115
   2386.96   5.973    132
   2380.86   5.958    136
   2379.52   5.955    108
   1891.48   4.733     34
   1830.69   4.581     52
   1826.54   4.571     48
   1822.88   4.562     32
   1816.04   4.545     39
   1813.96   4.539     31
   1602.78   4.011     38
   1518.31   3.800    711
   1497.07   3.746     45
   1492.55   3.735   1000
   1184.20   2.964     61
   1176.51   2.944     60
   1124.51   2.814     57
   1120.00   2.803     45

in CDCl3

KBr disc

nujol mull

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