Gentiopicroside(20831-76-9) MS
Product NameGentiopicroside
CAS20831-76-9
Molecular FormulaC16H20O9
Molecular Weight356.33
InChIInChI=1/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/s3
InChIKey DUAGQYUORDTXOR-WDCOMKKZNA-N
SmilesC([C@H]1[C@@H](OC=C2C(OCC=C12)=O)O[C@@]1([H])[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)=C |&1:1,2,13,15,16,18,20,r|
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MassMS-IW-8034 (5R-(5alpha,6beta))-6-(beta-D-glucopyranosyloxy)-5-vinyl-5,6-dihydropyrano(3,4-c)pyran-1(3H)-one C16H20O9 (Mass of molecular ion: 356)
Source Temperature: 180 °C Sample Temperature: 190 °C Direct, 75 eV
15.0 3.2 17.0 5.3 18.0 26.5 19.0 5.8 26.0 1.6 27.0 8.2 28.0 16.2 29.0 12.6 30.0 2.5 31.0 12.5 32.0 1.3 38.0 1.3 39.0 12.0 40.0 2.1 41.0 12.8 42.0 5.1 43.0 27.8 44.0 14.2 45.0 17.4 47.0 2.4 50.0 2.4 51.0 6.5 52.0 3.0 53.0 8.6 54.0 1.8 55.0 12.8 56.0 6.1 57.0 27.8 58.0 2.0 59.0 3.2 60.0 25.0 61.0 23.6 62.0 1.8 63.0 3.4 64.0 1.2 65.0 8.9 66.0 2.6 67.0 2.7 68.0 2.0 69.0 21.7 70.0 5.6 71.0 12.0 72.0 3.4 73.0 43.3 74.0 4.8 75.0 2.0 76.0 1.0 77.0 18.6 78.0 6.8 79.0 10.4 80.0 2.6 81.0 7.0 82.0 1.3 83.0 2.9 84.0 1.2 85.0 37.6 86.0 2.9 87.0 18.0 88.0 1.5 89.0 4.0 90.0 2.0 91.0 35.1 92.0 7.8 93.0 8.4 94.0 3.6 95.0 3.2 96.0 1.6 97.0 13.3 98.0 3.5 99.0 5.1 101.0 5.0 102.0 3.6 103.0 13.2 104.0 7.9 105.0 7.3 106.0 1.7 107.0 7.2 108.0 1.8 109.0 5.8 110.0 1.7 113.0 1.2 114.0 1.0 115.0 4.0 116.0 1.4 118.0 2.1 119.0 21.3 120.0 33.9 121.0 15.5 122.0 3.8 123.0 2.8 125.0 1.6 126.0 1.1 127.0 13.5 128.0 1.3 130.0 4.7 131.0 11.6 132.0 7.6 133.0 4.1 134.0 1.6 135.0 3.9 136.0 1.1 137.0 3.2 138.0 3.4 144.0 1.3 145.0 9.8 146.0 2.1 147.0 34.0 148.0 47.6 149.0 17.8 150.0 6.0 151.0 6.2 152.0 2.4 158.0 5.9 159.0 3.0 160.0 3.3 161.0 1.6 162.0 1.8 163.0 3.0 164.0 1.1 165.0 10.4 166.0 8.7 167.0 1.5 175.0 9.3 176.0 100.0 177.0 39.5 178.0 7.8 179.0 3.9 193.0 2.5 194.0 93.9 195.0 21.6 196.0 2.8
KBr disc
nujol mull
