69304-45-6

3,5-O-(1,1,3,3-四异丙基-1,3-二硅氧烷)腺苷(69304-45-6)核磁图(¹HNMR)

分子式:C22H39N5O5Si2

分子量: 509.75

InChI:InChI=1S/C22H39N5O5Si2/c1-12(2)33(13(3)4)29-9-16-19(31-34(32-33,14(5)6)15(7)8)18(28)22(30-16)27-11-26-17-20(23)24-10-25-21(17)27/h10-16,18-19,22,28H,9H2,1-8H3,(H2,23,24,25)/t16-,18-,19-,22-/m1/s1

InChIKey: KHVLHRYSOPSVJR-WGQQHEPDSA-N

Smiles:O1[Si](C(C)C)(C(C)C)O[Si](O[C@H]2[C@H]([C@H](N3C4C(=C(N=CN=4)N)N=C3)O[C@@H]2C1)O)(C(C)C)C(C)C

¹HNMR

¹³CNMR

Mass

MS-KW-0212          
(-)-3',5'-O-(1,1,3,3-tetraisopropyl-1,3-disiloxanediyl)adenosine
C22H39N5O5Si2       (Mass of molecular ion:    509)

   Source Temperature: 200 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      17.0       1.1
      18.0       8.2
      26.0       3.3
      27.0      13.1
      28.0      12.5
      29.0       3.1
      38.0       1.4
      39.0       6.5
      40.0       2.9
      41.0      13.0
      42.0       5.8
      43.0       9.5
      44.0       1.1
      45.0       1.4
      53.0       2.6
      54.0       2.8
      55.0       5.6
      57.0       1.3
      59.0       1.8
      61.0       3.1
      66.0       2.7
      67.0       2.7
      68.0       1.4
      69.0       3.6
      70.0       1.2
      71.0       1.7
      73.0       1.1
      75.0       4.0
      77.0       2.6
      79.0       2.0
      80.0       1.3
      81.0       9.9
      82.0       1.2
      85.0       1.2
      87.0       1.9
      88.0       1.0
      89.0       2.1
      91.0       1.7
      93.0       1.6
      94.0       1.6
      95.0       1.9
      96.0       1.0
      97.0      13.0
      98.0       1.0
     101.0       2.2
     102.0       1.1
     103.0       6.6
     104.0       1.1
     105.0      11.7
     106.0       1.8
     107.0       3.4
     108.0       7.6
     108.5       1.0
     109.0       2.0
     115.0       2.0
     117.0       1.4
     119.0      19.4
     120.0       3.1
     121.0      12.4
     122.0       1.7
     123.0       2.7
     126.5       1.1
     129.0       1.2
     131.0       3.9
     133.0       9.1
     134.0       2.2
     135.0      41.1
     136.0     100.0
     137.0      15.3
     138.0       1.4
     139.0       1.4
     143.0       1.4
     145.0       4.9
     146.0       1.4
     147.0      18.0
     148.0       6.4
     149.0       5.7
     151.0       2.5
     154.5       1.1
     159.0       6.9
     160.0       1.9
     161.0      11.7
     162.0       3.2
     163.0      10.6
     164.0      80.1
     165.0      11.4
     166.0       1.2
     168.0       1.3
     168.5       1.9
     171.0       1.4
     173.0       3.3
     174.0       1.4
     175.0      17.4
     176.0       4.7
     177.0       5.1
     178.0       3.6
     179.0       2.7
     183.0       1.1
     183.5       1.5
     185.0       4.2
     186.0       1.2
     187.0       3.3
     188.0       1.0
     189.0       9.6
     190.0       2.9
     191.0       8.7
     192.0       1.6
     193.0       2.2
     194.0       7.6
     195.0       1.1
     197.5       1.9
     198.0       1.1
     201.0       2.1
     202.0       4.4
     203.0       6.8
     204.0       2.0
     205.0       3.8
     207.0       4.1
     209.0       1.4
     211.5       3.4
     214.0       2.9
     215.0       2.4
     217.0      10.3
     218.0       2.4
     219.0       5.3
     220.0       1.1
     229.0       2.2
     231.0       9.5
     232.0       3.6
     233.0       5.2
     234.0       1.1
     235.0      12.5
     236.0       2.7
     237.0       1.5
     243.0       1.5
     245.0       1.6
     247.0       7.7
     248.0       2.0
     249.0       1.1
     257.0       2.1
     259.0      18.2
     260.0       4.2
     261.0       6.5
     262.0       1.5
     263.0       1.7
     264.0       1.3
     266.0       1.1
     271.0       1.8
     273.0       4.1
     274.0       1.1
     285.0       2.4
     287.0       3.3
     289.0       4.5
     290.0       1.4
     301.0       2.8
     303.0       4.0
     304.0       1.0
     313.0       6.9
     314.0       1.9
     315.0       2.6
     331.0       5.8
     332.0       1.7
     346.0       5.9
     347.0       1.7
     352.0       2.1
     357.0       4.3
     358.0       1.2
     370.0       1.1
     394.0       3.7
     395.0       1.0
     466.0      24.4
     467.0       7.9
     468.0       3.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₂ H₃₉ N₅ O₅ Si₂	0.031 g : 0.5 ml DMSO-d₆
(-)-3',5'-O-(1,1,3,3-tetraisopropyl-1,3-disiloxanediyl)adenosine

    Assign.     Shift(ppm)

      A             8.228
      B             8.092
      C             7.35
      D             5.89
      E             5.657
      F             4.810
      G             4.532
      J     *1      4.072
      K             4.018
      L     *1      3.941
      M             1.05
      N             1.00

     Hz     ppm     Int.

   3288.57   8.229    202
   3234.25   8.093    214
   2937.62   7.351     80
   2354.37   5.892    125
   2262.45   5.662     48
   2258.06   5.651     48
   1929.32   4.828     37
   1924.19   4.815     40
   1920.78   4.807     39
   1915.77   4.794     40
   1815.92   4.544     31
   1811.16   4.532     50
   1632.93   4.086     30
   1632.69   4.086     30
   1623.41   4.063     35
   1620.24   4.055     46
   1612.92   4.036     31
   1610.11   4.029     39
   1601.56   4.008     39
   1581.42   3.958     41
   1579.10   3.952     40
   1568.85   3.926     32
    418.33   1.047   1000
    414.31   1.037    717
    406.49   1.018    175
    399.66   1.001     78
    393.92   0.986     70

in DMSO-d6