Podophyllotoxin(518-28-5) IR1
Product NamePodophyllotoxin
CAS518-28-5
Molecular FormulaC22H22O8
Molecular Weight414.41
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MassMS-NW-9101 podophyllotoxin C22H22O8 (Mass of molecular ion: 414)
Source Temperature: 230 °C Sample Temperature: 200 °C Direct, 75 eV
18.0 4.6 28.0 2.2 55.0 1.7 75.0 1.0 76.0 1.5 77.0 1.5 85.0 1.2 91.0 1.1 93.0 1.2 103.0 1.1 111.0 1.2 115.0 2.7 117.0 1.1 119.0 1.0 121.0 1.0 125.0 1.5 126.0 1.3 127.0 1.7 131.0 1.8 133.0 1.0 134.0 1.5 135.0 2.5 138.0 1.4 139.0 2.1 140.0 1.0 141.0 1.8 143.0 1.8 145.0 1.2 147.0 1.0 149.0 2.0 150.0 1.3 151.0 2.4 152.0 1.8 153.0 8.5 154.0 3.4 155.0 1.5 159.0 1.3 161.0 1.4 162.0 1.4 163.0 2.4 164.0 1.2 165.0 1.8 166.0 1.0 167.0 2.2 168.0 21.8 169.0 16.3 170.0 2.2 171.0 1.4 172.0 2.5 173.0 3.4 175.0 1.2 176.0 1.7 181.0 10.3 182.0 2.0 183.0 1.2 185.0 3.1 187.0 3.5 188.0 2.0 189.0 9.3 190.0 1.7 193.0 1.1 195.0 2.5 197.0 1.5 198.0 2.4 199.0 1.7 200.0 5.9 201.0 8.6 202.0 3.8 205.0 1.0 207.0 2.1 208.0 1.5 209.0 1.5 210.0 1.1 211.0 1.3 212.0 1.3 215.0 2.0 217.0 1.3 218.0 1.3 219.0 1.0 221.0 1.1 223.0 1.5 225.0 2.3 226.0 4.0 227.0 1.7 228.0 3.5 229.0 2.8 233.0 1.3 235.0 1.1 237.0 1.2 238.0 1.4 239.0 1.9 240.0 1.1 241.0 1.1 245.0 1.3 246.0 2.3 247.0 1.3 249.0 1.3 251.0 2.4 252.0 1.1 253.0 1.3 254.0 2.7 255.0 2.5 263.0 1.5 265.0 1.5 267.0 2.3 268.0 1.6 269.0 1.9 270.0 1.0 271.0 1.3 277.0 1.5 278.0 1.2 279.0 1.9 281.0 1.1 282.0 3.0 283.0 2.9 284.0 1.3 285.0 1.4 290.0 1.5 291.0 1.5 292.0 1.2 293.0 1.8 294.0 1.1 295.0 1.4 297.0 2.8 298.0 3.4 299.0 4.5 300.0 1.2 301.0 1.0 305.0 1.6 306.0 1.8 307.0 1.9 308.0 1.8 309.0 2.0 311.0 1.5 312.0 2.5 313.0 3.7 314.0 1.9 315.0 1.2 319.0 1.4 320.0 2.5 321.0 3.9 322.0 1.7 323.0 2.6 324.0 3.1 325.0 1.6 327.0 1.1 329.0 4.4 330.0 1.0 335.0 1.3 336.0 1.2 337.0 5.6 338.0 4.2 339.0 4.4 340.0 2.7 341.0 1.5 351.0 4.3 352.0 4.0 353.0 2.5 354.0 3.6 355.0 5.0 356.0 1.4 365.0 3.8 366.0 1.6 367.0 2.1 368.0 1.4 369.0 2.9 378.0 1.4 379.0 1.4 381.0 2.1 383.0 4.1 384.0 1.1 394.0 1.5 395.0 1.3 396.0 5.0 397.0 2.2 398.0 2.1 399.0 6.4 400.0 4.0 412.0 1.0 414.0 100.0 415.0 24.0 416.0 4.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C22 H22 O8 0.038 g : 0.5 ml CDCl3 podophyllotoxin 
Assign. Shift(ppm)
A 7.112 B 6.493 C 6.374 D *1 5.974 E *1 5.956 F 4.732 G 4.575 J *2 4.547 K *2 4.012 L 3.799 M 3.734 N 2.953 P 2.81 Q 2.79 ASSIGNED BY C-H COSY
Hz ppm Int.2842.41 7.113 128 2595.34 6.495 163 2547.73 6.375 283 2388.18 5.976 115 2386.96 5.973 132 2380.86 5.958 136 2379.52 5.955 108 1891.48 4.733 34 1830.69 4.581 52 1826.54 4.571 48 1822.88 4.562 32 1816.04 4.545 39 1813.96 4.539 31 1602.78 4.011 38 1518.31 3.800 711 1497.07 3.746 45 1492.55 3.735 1000 1184.20 2.964 61 1176.51 2.944 60 1124.51 2.814 57 1120.00 2.803 45
in CDCl3
KBr disc
nujol mull
