357-57-3

10,11-二甲氧基马钱子碱(357-57-3)核磁图(¹³CNMR)

分子式:C23H26N2O4

分子量: 394.46

InChI:InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1

InChIKey: RRKTZKIUPZVBMF-IBTVXLQLSA-N

Smiles:C1(OC)=CC2[C@]34CCN5[C@@]3([H])C[C@@]3([C@@]6([C@@]4(N(C(=O)C[C@@H]6OCC=C3C5)C=2C=C1OC)[H])[H])[H]

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₃ H₂₆ N₂ O₄	0.055 g : 0.5 ml CDCl₃
brucine

    Assign.     Shift(ppm)

      A             7.816
      B             6.675
      C             5.891
      D             4.288
      E     *1      4.137
      F     *1      4.062
      G     *2      3.905
      J     *2      3.858
      K             3.86
      L             3.826
      M     *3      3.690
      N     *4      3.17
      P             3.14
      Q     *5      3.092
      R     *4      2.838
      S     *3      2.710
      T     *6      2.655
      U     *7      2.355
      V     *6      1.88
      W     *5      1.84
      X     *7      1.458
      Y             1.261
     
     ASSIGNED BY H-H AND C-H COSY

     Hz     ppm     Int.

   3123.78   7.817    321
   2667.97   6.676    271
   2354.13   5.891     42
   1720.95   4.307     33
   1717.65   4.298     62
   1714.36   4.290     40
   1712.52   4.286     39
   1709.23   4.277     61
   1705.81   4.269     32
   1666.02   4.169     43
   1659.06   4.152     45
   1652.22   4.135     93
   1645.26   4.117     84
   1631.96   4.084     47
   1625.24   4.067     43
   1560.91   3.906    893
   1552.12   3.884     35
   1551.03   3.881     34
   1542.11   3.859   1000
   1534.06   3.839    121
   1523.56   3.813    110
   1482.91   3.711     46
   1481.93   3.709     46
   1468.38   3.675     50
   1467.16   3.672     49
   1274.05   3.188     31
   1267.46   3.172     38
   1267.09   3.171     38
   1264.77   3.165     47
   1257.57   3.147     75
   1253.42   3.137    108
   1244.87   3.115     65
   1235.96   3.093     73
   1227.54   3.072     65
   1141.72   2.857     31
   1137.33   2.846     30
   1130.13   2.828     30
   1090.70   2.730     91
   1075.81   2.692     89
   1070.68   2.680     72
   1067.38   2.671     68
   1053.34   2.636     58
   1050.05   2.628     58
    947.02   2.370     38
    932.74   2.334     40
    757.20   1.895     45
    750.24   1.878     44
    744.87   1.864     60
    742.92   1.859     63
    738.28   1.848     55
    737.18   1.845     60
    589.60   1.476     48
    575.44   1.440     44
    512.33   1.282     31
    509.16   1.275     53
    505.98   1.267     31
    501.95   1.256     31
    498.78   1.249     51

in CDCl3

KBr disc

nujol mull

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10,11-二甲氧基马钱子碱(357-57-3)核磁图(13CNMR)

10,11-二甲氧基马钱子碱(357-57-3)核磁图(¹³CNMR)