64-86-8

秋水仙碱(64-86-8)Raman光谱

分子式:C22H25NO6

分子量: 399.44

InChI:InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1

InChIKey: IAKHMKGGTNLKSZ-INIZCTEOSA-N

Smiles:C(N[C@@H]1C2C(C3=C(OC)C(OC)=C(OC)C=C3CC1)=CC=C(OC)C(=O)C=2)(=O)C

Mass

MS-NW-2286          
colchicine
C22H25NO6           (Mass of molecular ion:    399)

   Source Temperature: 230 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      14.0       1.9
      15.0       9.7
      17.0       3.9
      18.0      19.9
      27.0       1.9
      28.0      10.8
      29.0       2.2
      30.0       3.2
      31.0       2.7
      32.0       1.7
      39.0       2.6
      40.0       1.6
      41.0       3.9
      42.0       3.2
      43.0      32.4
      44.0       2.4
      45.0       1.6
      51.0       2.5
      52.0       1.0
      53.0       1.3
      55.0       1.9
      56.0       1.2
      57.0       1.5
      59.0       1.1
      60.0       1.5
      63.0       3.1
      65.0       1.6
      69.0       1.1
      70.0       1.0
      73.0       1.2
      74.0       1.0
      75.0       2.2
      76.0       2.8
      77.0       2.9
      78.0       1.3
      84.0       1.1
      87.0       1.5
      88.0       1.3
      89.0       2.3
      90.0       1.0
      91.0       1.5
      98.0       1.2
      99.0       1.1
     100.0       1.0
     101.0       1.5
     102.0       1.6
     103.0       1.4
     104.0       1.1
     112.0       1.0
     113.0       1.7
     114.0       2.0
     115.0       4.5
     116.0       1.3
     117.0       1.0
     118.0       1.1
     126.0       2.5
     127.0       4.5
     128.0       3.7
     129.0       1.8
     130.0       1.1
     131.0       1.1
     133.0       1.2
     134.0       1.0
     138.0       1.0
     139.0       5.5
     140.0       3.9
     141.0       4.4
     142.0       1.9
     143.0       1.1
     147.0       1.0
     148.0       1.0
     148.5       1.3
     149.0       1.1
     150.0       1.2
     151.0       2.9
     152.0       5.7
     153.0       3.5
     154.0       2.3
     155.0       3.0
     156.0       2.4
     157.0       1.8
     163.0       1.6
     164.0       1.5
     165.0       3.9
     166.0       2.4
     167.0       3.0
     168.0       3.7
     169.0       3.0
     170.0       3.0
     171.0       1.8
     172.0       1.0
     176.0       1.2
     177.0       1.3
     178.0       1.9
     179.0       1.8
     180.0       2.3
     181.0       4.2
     182.0       2.9
     183.0       5.0
     184.0       2.6
     185.0       2.1
     190.0       1.1
     191.0       1.3
     192.0       1.6
     193.0       1.5
     194.0       2.2
     195.0       3.5
     196.0       3.4
     197.0       2.9
     198.0       2.3
     199.0       2.6
     200.0       1.5
     205.0       1.4
     206.0       1.3
     207.0       3.1
     208.0       2.5
     209.0       3.2
     210.0       3.1
     211.0       6.8
     212.0       3.4
     213.0       2.5
     214.0       1.1
     220.0       1.5
     221.0       1.9
     222.0       3.6
     223.0       4.3
     224.0       4.2
     225.0       3.9
     226.0       3.3
     227.0       3.3
     228.0       2.1
     234.0       1.0
     235.0       2.8
     236.0       2.9
     237.0       3.7
     238.0       6.2
     239.0       7.3
     240.0       4.3
     241.0       3.3
     242.0       2.4
     243.0       1.3
     249.0       1.5
     250.0       2.7
     251.0       6.3
     252.0       4.8
     253.0       4.3
     254.0      14.9
     255.0       5.8
     256.0       3.7
     257.0       1.7
     263.0       1.3
     264.0       1.7
     265.0       4.9
     266.0       8.4
     267.0       8.1
     268.0       7.7
     269.0      12.3
     270.0       9.6
     271.0       4.2
     272.0       1.2
     278.0       1.3
     279.0       2.7
     280.0       3.2
     281.0      30.8
     282.0      15.6
     283.0       7.8
     284.0       5.2
     285.0       3.0
     286.0       4.3
     287.0       1.2
     293.0       1.3
     294.0       7.2
     295.0       3.5
     296.0       6.9
     297.0      38.5
     298.0      20.8
     299.0       9.8
     300.0       9.6
     301.0       2.4
     307.0       1.0
     308.0       1.8
     309.0       3.2
     310.0       3.4
     311.0      16.1
     312.0     100.0
     313.0      21.5
     314.0      10.4
     315.0       2.7
     322.0       4.2
     323.0       1.6
     324.0       2.0
     325.0       6.1
     326.0       3.5
     327.0       2.1
     328.0       9.0
     329.0       2.5
     338.0       1.5
     339.0       1.8
     340.0       8.7
     341.0       2.7
     342.0       2.4
     343.0       2.2
     353.0       1.2
     356.0       7.8
     357.0       4.1
     358.0       1.0
     370.0       1.8
     371.0      29.4
     372.0       6.9
     373.0       1.1
     381.0       1.4
     385.0       2.1
     399.0      41.5
     400.0       9.9
     401.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₂ H₂₅ N O₆	0.039 g : 0.5 ml CDCl₃
colchicine

    Assign.     Shift(ppm)

      A             8.55
      B             7.675
      C             7.374
      D             6.926
      E             6.554
      F             4.661
      G     *1      4.031
      J     *1      3.953
      K     *1      3.919
      L     *1      3.669
      M             2.53
      N          2.43 to 2.28
      P             2.00
      Q             1.965
     
     ASSIGNED BY H-H AND C-H COSY.
     J(A,F)=6.0HZ
     J(C,D)=10.9HZ

     Hz     ppm     Int.

   3422.12   8.563     43
   3415.89   8.548     46
   3067.38   7.676    162
   2953.00   7.389     95
   2942.14   7.362    112
   2773.44   6.940     80
   2762.21   6.912     73
   2619.51   6.555    196
   1610.96   4.031    454
   1579.96   3.954   1000
   1566.41   3.920    653
   1466.31   3.669    852
   1009.52   2.527     33
    954.71   2.389     46
    948.85   2.375     74
    785.52   1.966    591

in CDCl3