3162-96-7

甲基-4,6-O-亚苄基-Α-D-吡喃葡糖苷(3162-96-7)核磁图(¹HNMR)

分子式:C14H18O6

分子量: 282.29

InChI:InChI=1/C14H18O6/c1-17-14-11(16)10(15)12-9(19-14)7-18-13(20-12)8-5-3-2-4-6-8/h2-6,9-16H,7H2,1H3/t9-,10-,11-,12-,13?,14+/s3

InChIKey: VVSWDMJYIDBTMV-CEJMUUMTNA-N

Smiles:[C@H]12[C@H](O)[C@H]([C@@H](OC)O[C@@H]1COC(C1C=CC=CC=1)O2)O |&1:0,1,3,4,8,r|

Mass

MS-IW-6691          
methyl 4,6-o-benzylidene-alpha-D-glucopyranoside
C14H18O6            (Mass of molecular ion:    282)

   Source Temperature: 170 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0       3.2
      17.0       1.5
      18.0       7.6
      19.0       1.6
      27.0       4.1
      28.0       2.5
      29.0       6.9
      31.0       7.7
      32.0       1.5
      33.0       3.5
      39.0       4.2
      41.0       5.6
      42.0       2.5
      43.0       9.1
      44.0       2.8
      45.0      30.8
      50.0       1.8
      51.0       5.8
      52.0       1.6
      53.0       1.8
      54.0       1.8
      55.0       5.0
      56.0       1.6
      57.0      12.0
      58.0       1.9
      59.0       5.2
      60.0      12.6
      61.0       7.5
      63.0       1.0
      68.0       2.1
      69.0      12.1
      70.0       8.7
      71.0       5.9
      72.0       1.9
      73.0      40.0
      74.0      36.3
      75.0      18.3
      76.0       1.6
      77.0      22.2
      78.0       5.6
      79.0      19.3
      80.0       1.5
      81.0       3.0
      82.0       1.7
      83.0       1.7
      85.0       7.7
      86.0       5.4
      87.0      16.5
      88.0       1.3
      89.0       2.2
      90.0       2.9
      91.0      28.1
      92.0       4.2
      97.0       3.5
      98.0       3.4
      99.0       3.9
     100.0       1.1
     101.0       4.5
     103.0      10.2
     104.0       2.6
     105.0      93.2
     106.0      23.5
     107.0     100.0
     108.0       8.8
     109.0       3.2
     115.0       6.1
     116.0       6.8
     117.0       2.4
     118.0       2.4
     119.0       2.8
     120.0       2.9
     121.0       2.6
     123.0       3.1
     127.0       6.4
     128.0       1.1
     131.0       1.3
     132.0       1.3
     133.0      38.4
     134.0       2.9
     135.0       1.1
     136.0       3.3
     144.0       3.8
     145.0      10.1
     146.0       2.1
     147.0       1.1
     149.0      11.6
     150.0       3.1
     160.0       1.3
     161.0       1.2
     162.0      17.4
     163.0       9.3
     164.0       1.0
     167.0       2.7
     173.0       1.4
     175.0       3.1
     177.0       1.5
     178.0       1.1
     179.0      34.4
     180.0       4.1
     190.0       1.3
     191.0       4.2
     205.0       1.1
     207.0       2.9
     221.0       1.3
     222.0       1.2
     239.0       1.0
     249.0       2.8
     250.0       2.0
     251.0       3.8
     281.0      10.4
     282.0      24.9
     283.0       4.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₈ O₆	0.040 g : 0.5 ml CDCl₃
methyl 4,6-O-benzylidene-alpha-D-glucopyranoside

    Assign.     Shift(ppm)

      A             7.482
      B             7.35
      C             7.33
      D             5.489
      E             4.701
      F     *1      4.253
      G             3.881
      J             3.75
      K     *1      3.704
      L             3.569
      M     *2      3.55
      N             3.432
      P             3.397
      Q     *2      2.94
     
     ASSIGNED BY H-H AND C-H COSY

     Hz     ppm     Int.

   2997.07   7.500     71
   2996.70   7.499     72
   2995.97   7.497     55
   2994.51   7.493     51
   2993.16   7.490     89
   2992.43   7.488     97
   2989.14   7.480    116
   2986.94   7.474    105
   2944.95   7.369     46
   2943.60   7.366     48
   2941.41   7.360    152
   2940.31   7.358    149
   2939.45   7.356    112
   2936.89   7.349    228
   2934.69   7.344    268
   2932.62   7.338     35
   2193.97   5.490    209
   1880.98   4.707    117
   1877.08   4.697    116
   1706.42   4.270     56
   1702.15   4.260     62
   1696.78   4.246     64
   1692.50   4.235     48
   1560.91   3.906     36
   1551.64   3.883     80
   1542.36   3.860     46
   1505.49   3.768     41
   1500.73   3.756     36
   1495.97   3.744     40
   1491.94   3.734     44
   1485.35   3.717     94
   1475.71   3.693     95
   1465.33   3.667     45
   1415.04   3.541     41
   1381.10   3.456     69
   1371.83   3.433    112
   1362.55   3.410     66
   1357.67   3.398   1000

in CDCl3