97-30-3

alpha-甲基葡萄糖甙(97-30-3)核磁图(¹³CNMR)

产品名称:alpha-甲基葡萄糖甙

CAS:97-30-3

分子式:C7H14O6

分子量: 194.18

InChI:InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/s3

InChIKey: HOVAGTYPODGVJG-SLEIHLAZNA-N

Smiles:[C@@H]1(CO)[C@@H](O)[C@@H]([C@@H](O)[C@@H](OC)O1)O |&1:0,3,5,6,8,r|

Mass

MS-IW-8707          
methyl alpha-D-glucopyranoside
C7H14O6             (Mass of molecular ion:    194)

   Source Temperature: 180 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      15.0       6.3
      17.0       2.4
      18.0      12.6
      19.0       4.7
      26.0       1.9
      27.0       6.1
      28.0       9.1
      29.0      17.9
      30.0       4.7
      31.0      24.9
      32.0       9.9
      33.0       5.5
      39.0       5.0
      40.0       1.4
      41.0       6.6
      42.0       7.8
      43.0      17.6
      44.0       8.1
      45.0      15.6
      47.0       1.9
      53.0       2.2
      54.0       3.4
      55.0      10.5
      56.0      13.2
      57.0      44.9
      58.0       3.5
      59.0       8.5
      60.0     100.0
      61.0      44.2
      62.0       1.7
      68.0       2.9
      69.0      11.5
      70.0       8.9
      71.0      23.2
      72.0       5.7
      73.0      65.2
      74.0      77.8
      75.0      13.7
      80.0       1.0
      81.0       1.9
      83.0       1.1
      84.0       3.0
      85.0      12.8
      86.0       3.8
      87.0      10.8
      88.0       1.1
      89.0       1.9
      91.0       2.9
      95.0       2.8
      96.0       2.8
      97.0       9.1
      98.0      11.5
      99.0       3.3
     101.0       1.9
     102.0       1.1
     103.0       4.8
     104.0       4.2
     110.0       1.2
     113.0       1.7
     114.0       1.3
     115.0       1.4
     116.0       8.0
     117.0       1.0
     121.0       2.9
     126.0       1.8
     127.0       3.0
     131.0       7.4
     133.0       1.6
     144.0       6.6
     145.0       8.7
     163.0       3.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₁₄ O₆	0.042 g : 0.5 ml DMSO-d₆
methyl alpha-D-glucopyranoside

    Assign.     Shift(ppm)

      A             4.86
      B             4.75
      C             4.71
      D             4.517
      E             4.47
      F     *1      3.623
      G     *1      3.443
      J             3.380
      K             3.297
      L             3.260
      M             3.184
      N             3.046
     
     ASSIGNED BY H-H COSY

     Hz     ppm     Int.

   1944.46   4.866    124
   1938.84   4.852    126
   1902.83   4.762    102
   1897.95   4.750    104
   1884.64   4.716    110
   1878.17   4.700    111
   1807.37   4.523    149
   1803.71   4.514    149
   1794.07   4.490     53
   1788.09   4.475    114
   1782.23   4.460     55
   1456.54   3.645     31
   1452.88   3.636     30
   1450.93   3.631     31
   1446.90   3.621     41
   1444.95   3.616     41
   1441.28   3.607     40
   1439.21   3.602     36
   1385.74   3.468     31
   1379.76   3.453     62
   1373.90   3.438     61
   1368.16   3.424     49
   1362.06   3.409     34
   1360.11   3.404     31
   1354.61   3.390     87
   1350.95   3.381     54
   1346.44   3.370     50
   1341.92   3.358     37
   1337.16   3.346     35
   1326.90   3.321     36
   1324.95   3.316     38
   1321.29   3.307     36
   1319.09   3.301     34
   1317.02   3.296     48
   1315.19   3.291     49
   1311.40   3.282     44
   1309.33   3.277     42
   1303.10   3.261   1000
   1281.86   3.208     39
   1278.20   3.199     41
   1275.51   3.192     43
   1272.09   3.184     62
   1268.55   3.175     34
   1265.99   3.168     33
   1228.76   3.075     37
   1223.14   3.061     38
   1219.85   3.053     45
   1214.36   3.039     44

in DMSO-d6

in D2O