69304-42-3

(+)-3',5'-O-(1,1,3,3-四异丙基-1,3-二硅氧烷)胞苷(69304-42-3)核磁图(¹³CNMR)

产品名称:(+)-3',5'-O-(1,1,3,3-四异丙基-1,3-二硅氧烷)胞苷

分子式:C21H39N3O6Si2

分子量: 485.72

InChI:InChI=1S/C21H39N3O6Si2/c1-12(2)31(13(3)4)27-11-16-19(29-32(30-31,14(5)6)15(7)8)18(25)20(28-16)24-10-9-17(22)23-21(24)26/h9-10,12-16,18-20,25H,11H2,1-8H3,(H2,22,23,26)/t16-,18-,19-,20-/m1/s1

InChIKey: KPNSXQNKDQMBAW-VBSBHUPXSA-N

Smiles:O1[Si](C(C)C)(C(C)C)O[Si](O[C@H]2[C@H]([C@H](N3C=CC(N)=NC3=O)O[C@@H]2C1)O)(C(C)C)C(C)C

¹HNMR

¹³CNMR

Mass

MS-KW-0211          
(+)-3',5'-O-(1,1,3,3-tetraisopropyl-1,3-disiloxanediyl)cytidine
C21H39N3O6Si2       (Mass of molecular ion:    485)

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

      17.0       1.7
      18.0       9.4
      26.0       2.9
      27.0       7.1
      28.0      10.7
      29.0       2.4
      38.0       1.7
      39.0       6.7
      40.0       4.2
      41.0      14.4
      42.0       8.1
      43.0       8.3
      44.0       1.8
      45.0       1.0
      51.0       1.0
      52.0       1.2
      53.0       1.7
      54.0       1.1
      55.0       3.9
      57.0       1.0
      59.0       1.3
      61.0       2.2
      66.0       1.8
      67.0       3.3
      68.0       4.3
      69.0       6.6
      70.0       1.4
      71.0       1.6
      73.0       1.0
      75.0       3.0
      77.0       2.1
      79.0       2.3
      80.0       1.1
      81.0       9.3
      82.0       1.2
      83.0       1.7
      85.0       1.3
      87.0       1.7
      88.0       1.2
      89.0       1.8
      91.0       1.4
      93.0       1.5
      94.0       2.3
      95.0       4.7
      96.0       2.7
      97.0       6.6
     101.0       2.2
     102.0       1.5
     103.0       5.3
     104.0       1.1
     105.0       8.9
     106.0       1.4
     107.0       2.6
     108.0       1.7
     108.5       1.9
     109.0       1.7
     111.0       7.0
     112.0     100.0
     113.0       6.3
     114.5       1.1
     115.0       2.3
     117.0       1.2
     119.0      12.7
     120.0       2.3
     121.0       9.1
     122.0       2.8
     123.0       2.9
     124.0       1.3
     129.0       1.0
     131.0       2.7
     133.0       6.0
     134.0       1.8
     135.0      16.8
     136.0       4.0
     137.0       6.6
     138.0       1.4
     139.0       1.2
     140.0       9.1
     141.0       1.2
     143.0       1.6
     145.0       3.3
     146.0       1.1
     147.0      11.8
     148.0       2.7
     149.0       4.0
     151.0       4.5
     152.0       1.1
     153.0       1.0
     154.0       1.5
     159.0       7.0
     160.0       1.8
     161.0       8.4
     162.0       2.4
     163.0       8.2
     164.0       1.8
     165.0       3.2
     166.0       1.2
     170.0       3.3
     171.0       1.5
     173.0       2.4
     175.0      11.9
     176.0       2.4
     177.0       3.1
     178.0       5.1
     179.0       2.4
     185.0       6.9
     186.0       1.4
     187.0       2.7
     189.0       7.6
     190.0       4.9
     191.0       7.4
     192.0       1.5
     193.0       1.9
     198.0       2.9
     201.0       1.5
     203.0       5.1
     204.0       1.2
     205.0       2.7
     207.0       3.4
     208.0       1.0
     209.0       1.3
     215.0       1.7
     217.0       8.8
     218.0       1.9
     219.0       6.2
     220.0       1.2
     224.0       3.7
     229.0       1.6
     231.0       8.6
     232.0       2.0
     233.0       4.6
     234.0       1.1
     235.0      10.4
     236.0       2.3
     237.0       1.3
     243.0       1.9
     245.0       1.7
     247.0       3.8
     257.0       2.1
     259.0      16.5
     260.0       4.0
     261.0       6.1
     262.0       1.3
     263.0       2.1
     271.0       1.5
     273.0       5.6
     274.0       1.3
     284.0       1.4
     285.0       4.0
     286.0       1.4
     287.0       4.8
     288.0       1.3
     289.0       4.8
     290.0       1.1
     301.0       2.8
     302.0       1.8
     303.0       7.3
     304.0       1.9
     313.0       5.7
     314.0       1.7
     315.0       2.6
     326.0       1.1
     328.0      22.7
     329.0       6.1
     330.0       2.7
     331.0      13.2
     332.0       3.4
     333.0       1.5
     346.0       7.2
     347.0       2.0
     354.0       1.2
     356.0       1.1
     357.0       2.1
     370.0       3.0
     424.0       2.3
     442.0      19.0
     443.0       6.1
     444.0       2.3
     485.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₁ H₃₉ N₃ O₆ Si₂	0.033 g : 0.5 ml DMSO-d₆
(+)-3',5'-O-(1,1,3,3-tetraisopropyl-1,3-disiloxanediyl)cytidine

    Assign.     Shift(ppm)

      A             7.721
      B     *1      7.20
      C     *1      7.15
      D             5.685
      E             5.629
      F             5.57
      G     *2      4.161
      J             4.084
      K             4.019
      L             3.95
      M     *2      3.92
     
     THE ISOPROPYL SIGNALS NOT ASSIGNED.
     J(A,D) = 7.4 HZ.
     J(E,J) = 4.5 HZ.

     Hz     ppm     Int.

   3089.60   7.731    162
   3082.15   7.713    173
   2878.42   7.203     58
   2855.47   7.145     56
   2275.88   5.695    161
   2268.55   5.677    163
   2251.83   5.635    163
   2247.31   5.624    161
   2224.12   5.566    326
   1670.78   4.181     70
   1670.29   4.180     71
   1657.23   4.147     91
   1640.38   4.105     55
   1635.99   4.094     60
   1631.23   4.082     92
   1626.95   4.071    110
   1609.62   4.028    113
   1600.59   4.005     63
   1581.18   3.957     77
   1576.78   3.946    130
   1574.58   3.940     68
   1572.39   3.935    138
   1570.19   3.929     97
   1558.96   3.901     75
   1556.76   3.896     64
    440.80   1.103     40
    439.70   1.101     44
    427.61   1.070   1000
    423.95   1.061    862
    420.17   1.052    773
    416.63   1.043    627
    409.55   1.025    354
    407.23   1.019    439
    403.08   1.009    687
    400.88   1.004    666
    396.97   0.994    183
    390.99   0.979    493
    388.43   0.972    831
    382.20   0.957    180
    378.78   0.948     83
    377.56   0.945    111
    374.88   0.939     81
    371.95   0.931     49
    370.24   0.927     51
    367.92   0.921     42

in DMSO-d6