beta-D-Ribofuranose 1-acetate 2,3,5-tribenzoate(6974-32-9) 13C NMR
Product Namebeta-D-Ribofuranose 1-acetate 2,3,5-tribenzoate
CAS6974-32-9
Molecular FormulaC28H24O9
Molecular Weight504.48
InChIInChI=1/C28H24O9/c1-17(29)34-28-24(36-26(31)19-13-7-4-8-14-19)23(35-25(30)18-11-5-3-6-12-18)22(37-28)20-15-9-10-16-21(20)27(32)33-2/h3-16,22-24,28H,1-2H3/t22-,23-,24-,28-/s3
InChIKey HEQFJJTXTFUEMH-BHUNBKLGNA-N
SmilesC(OC)(=O)C1=CC=CC=C1[C@@H]1[C@@H](OC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@H](OC(C)=O)O1 |&1:10,11,21,31,r|
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MassMS-NW-7067 1-O-acetyl-2,3,5-tri-o-benzoyl-beta-D-ribofuranose C28H24O9 (Mass of molecular ion: 504)
Source Temperature: 230 °C Sample Temperature: 170 °C Direct, 75 eV
43.0 8.3 51.0 2.7 77.0 14.2 78.0 1.1 105.0 100.0 106.0 8.0 122.0 1.9 201.0 1.5 205.0 1.3 218.0 5.6 219.0 1.0 322.0 4.0 445.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C28 H24 O9 0.039 g : 0.5 ml CDCl3 1-O-acetyl-2,3,5-tri-o-benzoyl-beta-D-ribofuranose 
Assign. Shift(ppm)
A *1 8.084 B *1 8.009 C *1 7.894 D *2 7.59 E *2 7.56 F *2 7.53 G *3 7.43 J *3 7.41 K *3 7.337 L 6.439 M 5.917 N 5.798 P 4.79 R 4.523 S 2.002 ASSIGNED BY C-H AND H-H COSY.
Hz ppm Int.3237.18 8.101 30 3235.60 8.097 138 3234.99 8.095 112 3234.25 8.093 167 3229.13 8.080 54 3227.17 8.075 172 3225.83 8.072 154 3206.91 8.025 30 3205.32 8.021 133 3204.83 8.020 108 3204.10 8.018 158 3202.39 8.013 47 3198.85 8.005 53 3196.90 8.000 169 3195.56 7.996 147 3161.25 7.911 31 3159.67 7.907 137 3158.33 7.903 157 3156.74 7.899 45 3153.20 7.890 54 3151.25 7.886 168 3149.90 7.882 151 3040.53 7.608 43 3034.79 7.594 37 3033.81 7.592 53 3033.08 7.590 91 3032.10 7.587 43 3031.25 7.585 35 3028.69 7.579 31 3027.34 7.575 63 3026.86 7.574 58 3025.51 7.571 75 3024.17 7.568 39 3021.73 7.561 38 3020.63 7.559 56 3019.90 7.557 95 3019.04 7.555 46 3018.07 7.552 42 3017.46 7.551 35 3016.11 7.547 50 3014.89 7.544 36 3013.79 7.542 50 3012.45 7.538 78 3011.11 7.535 51 3010.38 7.533 45 3009.64 7.531 53 3008.67 7.529 96 3007.69 7.526 42 3007.08 7.525 35 3002.56 7.513 41 3001.22 7.510 66 2999.88 7.507 33 2979.00 7.455 34 2977.78 7.451 106 2977.42 7.451 110 2975.83 7.447 48 2969.36 7.430 256 2967.77 7.426 80 2961.91 7.412 220 2955.57 7.396 41 2953.86 7.392 88 2953.37 7.390 62 2941.04 7.360 33 2939.58 7.356 108 2937.87 7.352 45 2932.01 7.337 152 2931.40 7.335 151 2930.30 7.333 52 2925.66 7.321 40 2924.56 7.318 57 2923.95 7.317 89 2573.36 6.440 171 2370.85 5.933 45 2370.61 5.932 45 2365.72 5.920 58 2364.01 5.916 53 2359.13 5.903 54 2319.34 5.804 110 2318.48 5.802 99 2314.58 5.792 78 2313.84 5.790 73 1920.65 4.806 54 1917.85 4.799 148 1913.82 4.789 52 1912.35 4.786 51 1907.35 4.773 86 1903.56 4.764 44 1815.31 4.543 31 1809.81 4.529 60 1802.25 4.510 54 800.05 2.002 1000
in CDCl3
KBr disc
nujol mull
