Hesperidin(520-26-3) IR2
Product NameHesperidin
CAS520-26-3
Molecular FormulaC28H34O15
Molecular Weight610.56
InChIInChI=1/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/s3
InChIKey QUQPHWDTPGMPEX-VVKVJIKKNA-N
SmilesC12C(O)=CC(O[C@H]3[C@H](O)[C@H]([C@H](O)[C@@H](CO[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C)O3)O)=CC=1O[C@H](C1=CC=C(OC)C(O)=C1)CC2=O |&1:6,7,9,10,12,15,17,18,20,22,30,r|
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MassMS-IW-3979 hesperidin C28H34O15 (Mass of molecular ion: 610)
Source Temperature: 200 °C Sample Temperature: 260 °C Direct, 75 eV
15.0 2.6 17.0 3.8 18.0 19.3 19.0 2.3 26.0 1.0 27.0 4.8 28.0 6.4 29.0 7.9 30.0 1.6 31.0 8.6 32.0 1.2 39.0 6.1 40.0 1.3 41.0 9.4 42.0 5.3 43.0 24.4 44.0 9.0 45.0 12.1 47.0 1.2 50.0 1.5 51.0 3.0 52.0 1.9 53.0 3.9 54.0 1.8 55.0 9.3 56.0 5.0 57.0 15.5 58.0 10.7 59.0 5.8 60.0 28.3 61.0 6.9 63.0 1.7 65.0 2.6 66.0 1.0 67.0 2.6 68.0 1.7 69.0 13.2 70.0 3.2 71.0 18.1 72.0 3.4 73.0 21.9 74.0 4.4 75.0 4.4 77.0 6.2 78.0 3.2 79.0 3.1 80.0 1.1 81.0 3.3 82.0 1.9 83.0 4.3 84.0 3.8 85.0 22.0 86.0 2.8 87.0 6.3 88.0 1.0 89.0 5.6 90.0 1.3 91.0 4.4 93.0 1.0 94.0 1.2 95.0 1.7 96.0 3.3 97.0 3.7 98.0 2.4 99.0 4.8 100.0 3.6 101.0 3.1 102.0 3.7 103.0 3.8 105.0 1.6 106.0 1.0 107.0 9.2 108.0 2.1 109.0 3.4 110.0 2.3 111.0 4.5 112.0 1.2 113.0 3.8 114.0 1.9 115.0 3.2 116.0 1.0 117.0 3.0 118.0 1.1 119.0 3.6 120.0 2.9 121.0 3.9 122.0 1.6 123.0 4.2 124.0 12.9 125.0 1.7 126.0 4.0 127.0 8.9 128.0 6.0 129.0 11.3 130.0 9.9 130.5 1.3 131.0 2.6 132.0 1.4 133.0 2.2 134.0 3.8 135.0 41.3 136.0 6.8 137.0 100.0 138.0 9.4 139.0 1.7 143.0 1.1 144.0 3.9 145.0 7.4 146.0 3.0 147.0 11.2 148.0 2.4 149.0 3.6 150.0 63.4 151.0 10.1 152.0 6.5 153.0 47.1 154.0 4.1 155.0 1.6 157.0 1.5 161.0 1.1 162.0 1.4 163.0 1.8 165.0 4.5 166.0 2.7 173.0 6.1 174.0 1.1 175.0 1.7 176.0 2.0 177.0 3.6 178.0 4.3 179.0 21.8 180.0 2.5 186.0 1.2 187.0 1.0 189.0 1.2 190.0 1.3 191.0 6.2 192.0 1.0 199.0 1.1 201.0 1.1 203.0 1.0 204.0 4.6 213.0 1.2 216.0 2.0 217.0 2.8 218.0 1.6 229.0 1.3 231.0 2.1 241.0 1.2 245.0 1.1 257.0 1.5 258.0 1.0 259.0 6.4 260.0 1.3 269.0 1.3 270.0 2.0 271.0 3.5 272.0 3.7 273.0 1.7 274.0 1.9 284.0 3.5 285.0 7.7 286.0 4.9 287.0 2.9 300.0 3.8 301.0 26.5 302.0 80.8 303.0 18.0 304.0 3.0 315.0 1.9 316.0 1.0
in DMSO-d6
KBr disc
nujol mull
