24815-24-5

利血那明(24815-24-5)紅外圖譜(IR1)

產(chǎn)品名稱:利血那明

分子式:C35H42N2O9

分子量: 634.72

InChI:InChI=1/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/s3

InChIKey: SZLZWPPUNLXJEA-PELNMMMKNA-N

Smiles:C12NC3C=C(OC)C=CC=3C=1CCN1C[C@@]3([H])C[C@@H](OC(=O)/C=C/C4C=C(C(OC)=C(OC)C=4)OC)[C@H](OC)[C@@H](C(=O)OC)[C@@]3([H])C[C@]21[H] |&1:15,18,36,39,44,47,r|

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₃₅ H₄₂ N₂ O₉	0.038 g : 0.5 ml CDCl₃
rescinnamine

    Assign.     Shift(ppm)

      A             7.833
      B             7.639
      C             7.329
      D             6.836
      E             6.771
      F             6.77
      G             6.369
      J             4.949
      K             4.441
      L             3.904
      M             3.890
      N     *1      3.826
      P     *1      3.820
      Q             3.515
      R             3.15
      S             3.01
      T             2.95
      U             2.668
      T             2.47
      S             2.43
      V     *2      2.29
      W             2.24
      X             2.03
      Y             1.93
      Z     *2      1.83
     
     PARTIALLY ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   3130.95   7.835     71
   3061.22   7.660     71
   3045.20   7.620     76
   2933.65   7.341     66
   2925.11   7.320     72
   2733.31   6.840     79
   2731.17   6.834     88
   2710.27   6.782     72
   2707.98   6.776     87
   2705.99   6.771    305
   2701.72   6.761     62
   2699.43   6.755     50
   2553.41   6.390     97
   2537.54   6.350     92
   1560.36   3.905   1000
   1554.87   3.891    773
   1551.67   3.883     30
   1529.08   3.827    650
   1526.79   3.821    534
   1404.88   3.516    473
   1265.72   3.168     34
   1263.89   3.163     37
   1259.77   3.153     46
   1074.22   2.688     30
   1069.49   2.677     30
   1058.20   2.648     30
    974.43   2.439     31
    973.82   2.437     31
    973.21   2.436     31
    915.53   2.291     30
    902.56   2.259     40
    737.30   1.845     32
    736.85   1.844     32

in CDCl3