Product Name1,3,4,6-Tetra-O-acetyl-β-D-mannopyranose
CAS18968-05-3
Molecular FormulaC14H20O10
Molecular Weight348.3
InChIInChI=1/C14H20O10/c1-6(15)20-5-10-12(21-7(2)16)13(22-8(3)17)11(19)14(24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11+,12-,13-,14-/s3
InChIKey SHBHJRVMGYVXKK-SVVSBURVNA-N
Smiles[C@@H]1(OC(=O)C)[C@@H](COC(=O)C)O[C@@H](OC(=O)C)[C@@H](O)[C@H]1OC(=O)C |&1:0,5,12,17,19,r|
Mass
MS-IW-5664 1,3,4,6-tetra-O-acetyl-beta-D-mannopyranose C14H20O10 (Mass of molecular ion: 348)
Source Temperature: 170 °C Sample Temperature: 160 °C Direct, 75 eV
14.0 1.1 15.0 4.5 18.0 3.5 27.0 1.1 28.0 2.2 29.0 1.9 41.0 1.4 42.0 5.6 43.0 100.0 44.0 5.1 45.0 7.0 53.0 1.0 55.0 2.4 57.0 1.2 60.0 8.7 61.0 3.6 69.0 4.6 70.0 2.9 71.0 1.8 73.0 13.4 74.0 1.3 80.0 2.0 81.0 4.7 84.0 1.3 85.0 8.2 86.0 4.4 96.0 1.8 97.0 13.3 98.0 29.6 99.0 4.3 101.0 3.0 102.0 6.4 103.0 12.1 109.0 2.7 112.0 1.8 113.0 3.6 114.0 4.8 115.0 38.1 116.0 5.5 126.0 6.8 127.0 3.9 128.0 1.1 131.0 1.4 139.0 2.6 140.0 9.0 141.0 1.5 143.0 3.2 144.0 3.6 145.0 7.8 155.0 1.3 156.0 1.9 157.0 22.0 158.0 6.4 168.0 1.7 169.0 1.9 182.0 1.0 186.0 2.4 187.0 2.3 199.0 2.5 200.0 7.5 203.0 1.4 215.0 2.3 242.0 1.9 245.0 1.3
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C14 H20 O10 | 0.042 g : 0.5 ml CDCl3 |
1,3,4,6-tetra-O-acetyl-beta-D-mannopyranose |
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Assign. Shift(ppm) |
Hz ppm Int.
2317.26 5.799 200 2316.16 5.796 203 2164.67 5.417 63 2154.91 5.392 138 2145.02 5.368 75 2021.73 5.059 84 2018.80 5.052 82 2011.96 5.035 72 2008.91 5.027 73 1729.49 4.328 55 1724.49 4.316 59 1717.04 4.297 78 1712.04 4.284 79 1683.72 4.213 45 1680.79 4.206 78 1677.98 4.199 47 1658.94 4.151 75 1656.62 4.146 80 1646.48 4.120 56 1644.17 4.115 55 1524.78 3.816 37 1522.34 3.810 43 1519.78 3.803 42 1517.46 3.797 36 1514.89 3.791 38 1512.57 3.785 43 1509.89 3.779 40 1507.57 3.773 33 1039.67 2.602 55 1036.38 2.594 47 871.70 2.182 997 845.70 2.117 996 835.21 2.090 973 821.41 2.056 1000
in CDCl3
KBr disc
nujol mull
1,3,4,6-Tetra-O-acetyl-β-D-mannopyranose(18968-05-3) 13C NMR Atlas of Related Products
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