128-62-1

那可汀(128-62-1)Raman光谱

分子式:C22H23NO7

分子量: 413.42

InChI:InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1

InChIKey: AKNNEGZIBPJZJG-MSOLQXFVSA-N

Smiles:C1(=O)C2=C(C=CC(OC)=C2OC)[C@@H]([C@H]2C3C(=CC4OCOC=4C=3OC)CCN2C)O1

Mass

MS-NW-6569          
noscapine
C22H23NO7           (Mass of molecular ion:    413)

   Source Temperature: 190 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      42.0       1.7
      77.0       1.4
     118.0       1.3
     119.0       1.1
     147.0       2.2
     148.0       1.3
     176.0       1.0
     178.0       1.7
     193.0       1.7
     194.0       1.3
     203.0       1.8
     205.0       8.8
     206.0       1.3
     218.0       3.2
     219.0       2.0
     220.0     100.0
     221.0      14.6
     222.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₂ H₂₃ N O₇	0.040 g : 0.5 ml CDCl₃
noscapine

    Assign.     Shift(ppm)

      A             6.966
      B             6.310
      C             6.074
      D             5.94
      E             5.573
      F             4.391
      G             4.092
      J             4.047
      K             3.864
      L     *1      2.600
      M             2.546
      N     *2      2.36
      P     *1      2.34
      Q     *2      1.910
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   2788.33   6.977    109
   2780.03   6.957    114
   2521.85   6.311    159
   2431.88   6.086     85
   2431.15   6.084     84
   2423.71   6.065     83
   2422.97   6.063     82
   2376.46   5.947    121
   2375.12   5.944    229
   2373.41   5.939    227
   2372.07   5.936    112
   2229.61   5.579     83
   2229.00   5.578     83
   2225.59   5.569     85
   2224.85   5.567     82
   1756.96   4.397     82
   1752.81   4.386     80
   1635.62   4.093   1000
   1617.31   4.047    888
   1544.31   3.865    688
   1045.65   2.617     32
   1017.82   2.547    635
    942.75   2.359     44
    940.80   2.355     35
    938.11   2.348     38
    936.16   2.343     41
    934.33   2.338     43

in CDCl3