320-67-2

阿扎胞苷(320-67-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:阿扎胞苷

CAS:320-67-2

分子式:C8H12N4O5

分子量: 244.2

InChI:InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/s3

InChIKey: NMUSYJAQQFHJEW-QNEKUJPYNA-N

Smiles:OC[C@H]1O[C@@H](N2C=NC(N)=NC2=O)[C@H](O)[C@@H]1O |&1:2,4,13,15,r|

Mass

MS2007-03489WA      
5-azacytidine
C8H12N4O5           (Mass of molecular ion:    244)

   Source Temperature: 250 °C
   Sample Temperature: 220 °C
   Direct, 70 eV

      15.0       2.5
      18.0       1.7
      19.0       2.1
      26.0       1.4
      27.0       6.2
      28.0      21.5
      29.0      18.9
      30.0       2.0
      31.0      14.3
      39.0       4.0
      40.0       2.1
      41.0       8.3
      42.0      32.4
      43.0      44.8
      44.0      14.1
      45.0       9.9
      46.0       1.6
      47.0       1.9
      53.0       4.6
      54.0       2.0
      55.0       8.9
      56.0       6.0
      57.0      22.6
      58.0       2.9
      59.0       1.6
      60.0      10.1
      61.0       4.0
      67.0       1.3
      68.0      10.7
      69.0      26.6
      70.0      22.3
      71.0      18.9
      72.0       3.1
      73.0      18.3
      74.0       3.1
      82.0       1.3
      84.0       4.7
      85.0      11.3
      86.0      25.9
      87.0       2.0
      95.0       1.4
      96.0       2.0
      97.0       8.0
      98.0       3.1
      99.0       1.3
     101.0       1.0
     110.0       1.3
     111.0       4.8
     112.0     100.0
     113.0      91.6
     114.0       6.0
     115.0       2.2
     124.0       1.3
     125.0       1.5
     126.0       1.9
     127.0       1.1
     132.0       1.2
     133.0       1.6
     138.0       1.4
     139.0       1.6
     140.0       2.3
     141.0      41.5
     142.0       3.4
     143.0       2.8
     144.0       1.3
     152.0      16.5
     153.0       1.9
     155.0      10.2
     156.0       1.2
     171.0      13.6
     172.0       1.3
     178.0       1.3
     179.0       2.9
     196.0       1.8
     214.0       1.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₁₂ N₄ O₅	0.028 g : 0.5 ml DMSO-d₆
5-azacytidine

    Assign.     Shift(ppm)

      A             8.590
      B             7.53
      C             5.673
      D             4.087
      E             4.018
      F             3.860
      G     *1      3.697
      J     *1      3.563

     Hz     ppm     Int.

   3433.38   8.591   1000
   3014.98   7.545    237
   3007.66   7.526    281
   2269.44   5.679    460
   2265.63   5.670    469
   1638.34   4.100    176
   1633.61   4.088    292
   1629.64   4.078    234
   1611.02   4.032    216
   1605.38   4.017    312
   1600.34   4.005    185
   1545.56   3.868    250
   1542.66   3.861    207
   1539.76   3.853    218
   1486.36   3.720    155
   1483.31   3.712    156
   1474.15   3.689    234
   1471.25   3.682    214
   1431.12   3.581    225
   1428.07   3.574    237
   1418.91   3.551    185
   1415.86   3.543    176

in DMSO-d6