554-91-6

龙胆二糖(554-91-6)核磁图(¹HNMR)

分子式:C12H22O11

分子量: 342.3

InChI:InChI=1/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h1,4-12,14-21H,2-3H2/t4-,5+,6+,7+,8+,9+,10-,11+,12+/s3

InChIKey: AYRXSINWFIIFAE-XUYRYHIXNA-N

Smiles:[C@H]1(OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O |&1:0,3,5,7,9,13,15,16,18,r|

400 MHz in D2O

¹H NMR	399.65 MHz
C₁₂ H₂₂ O₁₁	0.035 g : 0.5 ml D₂O
D-gentiobiose

    Assign.     Shift(ppm)

      A             5.234
      B             4.660
      C             4.518
      D             4.50
     
     MIXTURE OF ANOMERS.
     PARTIALLY ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   2093.87   5.240    116
   2090.09   5.230    116
   1866.70   4.671    443
   1858.76   4.651    466
   1809.81   4.529    432
   1805.91   4.519     44
   1802.00   4.509    499
   1794.92   4.492    123
   1688.96   4.227    200
   1687.38   4.223    223
   1677.61   4.198    249
   1675.90   4.194    253
   1666.99   4.172     59
   1665.28   4.167     66
   1655.76   4.144     65
   1653.81   4.139     69
   1601.93   4.009     34
   1598.88   4.001     41
   1597.29   3.997     37
   1596.92   3.996     37
   1593.63   3.988     35
   1591.92   3.984     37
   1588.62   3.976     48
   1587.28   3.972     46
   1577.03   3.947    202
   1575.07   3.942    255
   1570.80   3.931     35
   1564.58   3.915    315
   1562.99   3.911    372
   1558.84   3.901     85
   1554.32   3.890     35
   1552.12   3.884     77
   1547.97   3.874    217
   1542.11   3.859    220
   1538.82   3.851     53
   1536.50   3.845    175
   1530.76   3.831    191
   1500.49   3.755    260
   1497.07   3.746    112
   1494.63   3.740    296
   1487.92   3.724    306
   1482.30   3.709    228
   1478.27   3.699     94
   1459.84   3.653    114
   1452.76   3.636    169
   1450.68   3.630    153
   1446.53   3.620    125
   1444.70   3.615    109
   1423.46   3.562     93
   1419.56   3.553     83
   1413.57   3.538     97
   1411.01   3.531    272
   1408.08   3.524    137
   1401.98   3.509    611
   1398.93   3.501    474
   1395.26   3.492    404
   1392.58   3.485   1000
   1385.86   3.468    500
   1381.23   3.457    238
   1379.15   3.451    232
   1377.20   3.447    166
   1366.82   3.421    464
   1361.82   3.408     42
   1357.67   3.398    417
   1348.14   3.374    165
   1337.77   3.348    278
   1335.57   3.342    120
   1329.71   3.328    326
   1328.61   3.325    312
   1323.12   3.311     46
   1320.43   3.304    215
   1318.12   3.299    102
   1311.52   3.282    195
   1306.76   3.270     47
   1303.47   3.262    271
   1302.98   3.261    266
   1296.88   3.246     73
   1294.68   3.240    152

in D2O