4049-34-7

四-O-乙酰基-Β-D-吡喃核糖(4049-34-7)质谱(MS)

分子式:C13H18O9

分子量: 318.28

InChI:InChI=1/C13H18O9/c1-6(14)19-10-5-18-13(22-9(4)17)12(21-8(3)16)11(10)20-7(2)15/h10-13H,5H2,1-4H3/t10-,11-,12-,13+/s3

InChIKey: MJOQJPYNENPSSS-PDVQOHKZNA-N

Smiles:O([C@@H]1[C@@H](CO[C@@H](OC(=O)C)[C@@H]1OC(=O)C)OC(=O)C)C(=O)C |&1:1,2,5,10,r|

Mass

MS-IW-4917          
beta-D-ribopyranose 1,2,3,4-tetraacetate
C13H18O9            (Mass of molecular ion:    318)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       4.6
      18.0       1.2
      28.0       1.8
      41.0       1.1
      42.0       2.3
      43.0     100.0
      44.0       5.3
      45.0       1.4
      55.0       1.0
      57.0       2.2
      60.0       1.7
      61.0       1.8
      68.0       9.3
      69.0      14.5
      70.0       1.1
      71.0       1.5
      73.0       5.8
      85.0       5.9
      86.0      16.2
      87.0       1.0
      97.0       8.6
      98.0       1.3
      99.0       2.1
     100.0       2.7
     102.0       2.1
     103.0      21.4
     113.0       2.2
     114.0       6.0
     115.0      33.5
     116.0       2.0
     127.0       3.5
     128.0      55.8
     129.0       4.2
     139.0       6.9
     145.0       7.7
     156.0       2.5
     157.0      20.0
     158.0       1.6
     170.0      61.8
     171.0       6.5
     173.0       2.6
     216.0       6.4
     259.0       6.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₁₈ O₉	0.040 g : 0.5 ml DMSO-d₆
beta-D-ribopyranose 1,2,3,4-tetraacetate

    Assign.     Shift(ppm)

      A             5.884
      B             5.361
      C             5.116
      D             4.983
      E             4.034
      F             3.802
      G     *1      2.115
      J     *1      2.062
      K     *1      2.043
      L     *1      2.017
     
     ASSIGNED BY H-H COSY

     Hz     ppm     Int.

   2354.00   5.891    148
   2349.61   5.880    150
   2146.36   5.371     67
   2142.94   5.363    133
   2139.40   5.354     73
   2047.12   5.123     58
   2044.92   5.117     52
   2042.11   5.110     59
   1995.85   4.994     65
   1995.24   4.993     67
   1991.58   4.984    111
   1987.92   4.975     64
   1987.30   4.973     60
   1620.73   4.056     49
   1617.55   4.048     50
   1608.28   4.025     66
   1605.10   4.017     60
   1527.83   3.823     71
   1522.58   3.810     72
   1515.38   3.792     60
   1510.13   3.779     58
    845.46   2.116    994
    824.22   2.063   1000
    816.77   2.044    987
    806.03   2.017    969

in DMSO-d6