1-乙酰氧基-2,3,5-三苯甲酰氧基-1-beta-D-呋喃核糖(6974-32-9)質(zhì)譜(MS)

產(chǎn)品名稱:1-乙酰氧基-2,3,5-三苯甲酰氧基-1-beta-D-呋喃核糖

分子式:C28H24O9

分子量: 504.48

InChI:InChI=1/C28H24O9/c1-17(29)34-28-24(36-26(31)19-13-7-4-8-14-19)23(35-25(30)18-11-5-3-6-12-18)22(37-28)20-15-9-10-16-21(20)27(32)33-2/h3-16,22-24,28H,1-2H3/t22-,23-,24-,28-/s3

InChIKey: HEQFJJTXTFUEMH-BHUNBKLGNA-N

Smiles:C(OC)(=O)C1=CC=CC=C1[C@@H]1[C@@H](OC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@H](OC(C)=O)O1 |&1:10,11,21,31,r|

Mass

MS-NW-7067          
1-O-acetyl-2,3,5-tri-o-benzoyl-beta-D-ribofuranose
C28H24O9            (Mass of molecular ion:    504)

   Source Temperature: 230 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      43.0       8.3
      51.0       2.7
      77.0      14.2
      78.0       1.1
     105.0     100.0
     106.0       8.0
     122.0       1.9
     201.0       1.5
     205.0       1.3
     218.0       5.6
     219.0       1.0
     322.0       4.0
     445.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₈ H₂₄ O₉	0.039 g : 0.5 ml CDCl₃
1-O-acetyl-2,3,5-tri-o-benzoyl-beta-D-ribofuranose

    Assign.     Shift(ppm)

      A     *1      8.084
      B     *1      8.009
      C     *1      7.894
      D     *2      7.59
      E     *2      7.56
      F     *2      7.53
      G     *3      7.43
      J     *3      7.41
      K     *3      7.337
      L             6.439
      M             5.917
      N             5.798
      P             4.79
      R             4.523
      S             2.002
     
     ASSIGNED BY C-H AND H-H COSY.

     Hz     ppm     Int.

   3237.18   8.101     30
   3235.60   8.097    138
   3234.99   8.095    112
   3234.25   8.093    167
   3229.13   8.080     54
   3227.17   8.075    172
   3225.83   8.072    154
   3206.91   8.025     30
   3205.32   8.021    133
   3204.83   8.020    108
   3204.10   8.018    158
   3202.39   8.013     47
   3198.85   8.005     53
   3196.90   8.000    169
   3195.56   7.996    147
   3161.25   7.911     31
   3159.67   7.907    137
   3158.33   7.903    157
   3156.74   7.899     45
   3153.20   7.890     54
   3151.25   7.886    168
   3149.90   7.882    151
   3040.53   7.608     43
   3034.79   7.594     37
   3033.81   7.592     53
   3033.08   7.590     91
   3032.10   7.587     43
   3031.25   7.585     35
   3028.69   7.579     31
   3027.34   7.575     63
   3026.86   7.574     58
   3025.51   7.571     75
   3024.17   7.568     39
   3021.73   7.561     38
   3020.63   7.559     56
   3019.90   7.557     95
   3019.04   7.555     46
   3018.07   7.552     42
   3017.46   7.551     35
   3016.11   7.547     50
   3014.89   7.544     36
   3013.79   7.542     50
   3012.45   7.538     78
   3011.11   7.535     51
   3010.38   7.533     45
   3009.64   7.531     53
   3008.67   7.529     96
   3007.69   7.526     42
   3007.08   7.525     35
   3002.56   7.513     41
   3001.22   7.510     66
   2999.88   7.507     33
   2979.00   7.455     34
   2977.78   7.451    106
   2977.42   7.451    110
   2975.83   7.447     48
   2969.36   7.430    256
   2967.77   7.426     80
   2961.91   7.412    220
   2955.57   7.396     41
   2953.86   7.392     88
   2953.37   7.390     62
   2941.04   7.360     33
   2939.58   7.356    108
   2937.87   7.352     45
   2932.01   7.337    152
   2931.40   7.335    151
   2930.30   7.333     52
   2925.66   7.321     40
   2924.56   7.318     57
   2923.95   7.317     89
   2573.36   6.440    171
   2370.85   5.933     45
   2370.61   5.932     45
   2365.72   5.920     58
   2364.01   5.916     53
   2359.13   5.903     54
   2319.34   5.804    110
   2318.48   5.802     99
   2314.58   5.792     78
   2313.84   5.790     73
   1920.65   4.806     54
   1917.85   4.799    148
   1913.82   4.789     52
   1912.35   4.786     51
   1907.35   4.773     86
   1903.56   4.764     44
   1815.31   4.543     31
   1809.81   4.529     60
   1802.25   4.510     54
    800.05   2.002   1000

in CDCl3