Colchicine(64-86-8) 13C NMR
Product NameColchicine
CAS64-86-8
Molecular FormulaC22H25NO6
Molecular Weight399.44
InChIInChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
InChIKey IAKHMKGGTNLKSZ-INIZCTEOSA-N
SmilesC(N[C@@H]1C2C(C3=C(OC)C(OC)=C(OC)C=C3CC1)=CC=C(OC)C(=O)C=2)(=O)C
-
MassMS-NW-2286 colchicine C22H25NO6 (Mass of molecular ion: 399)
Source Temperature: 230 °C Sample Temperature: 190 °C Direct, 75 eV
14.0 1.9 15.0 9.7 17.0 3.9 18.0 19.9 27.0 1.9 28.0 10.8 29.0 2.2 30.0 3.2 31.0 2.7 32.0 1.7 39.0 2.6 40.0 1.6 41.0 3.9 42.0 3.2 43.0 32.4 44.0 2.4 45.0 1.6 51.0 2.5 52.0 1.0 53.0 1.3 55.0 1.9 56.0 1.2 57.0 1.5 59.0 1.1 60.0 1.5 63.0 3.1 65.0 1.6 69.0 1.1 70.0 1.0 73.0 1.2 74.0 1.0 75.0 2.2 76.0 2.8 77.0 2.9 78.0 1.3 84.0 1.1 87.0 1.5 88.0 1.3 89.0 2.3 90.0 1.0 91.0 1.5 98.0 1.2 99.0 1.1 100.0 1.0 101.0 1.5 102.0 1.6 103.0 1.4 104.0 1.1 112.0 1.0 113.0 1.7 114.0 2.0 115.0 4.5 116.0 1.3 117.0 1.0 118.0 1.1 126.0 2.5 127.0 4.5 128.0 3.7 129.0 1.8 130.0 1.1 131.0 1.1 133.0 1.2 134.0 1.0 138.0 1.0 139.0 5.5 140.0 3.9 141.0 4.4 142.0 1.9 143.0 1.1 147.0 1.0 148.0 1.0 148.5 1.3 149.0 1.1 150.0 1.2 151.0 2.9 152.0 5.7 153.0 3.5 154.0 2.3 155.0 3.0 156.0 2.4 157.0 1.8 163.0 1.6 164.0 1.5 165.0 3.9 166.0 2.4 167.0 3.0 168.0 3.7 169.0 3.0 170.0 3.0 171.0 1.8 172.0 1.0 176.0 1.2 177.0 1.3 178.0 1.9 179.0 1.8 180.0 2.3 181.0 4.2 182.0 2.9 183.0 5.0 184.0 2.6 185.0 2.1 190.0 1.1 191.0 1.3 192.0 1.6 193.0 1.5 194.0 2.2 195.0 3.5 196.0 3.4 197.0 2.9 198.0 2.3 199.0 2.6 200.0 1.5 205.0 1.4 206.0 1.3 207.0 3.1 208.0 2.5 209.0 3.2 210.0 3.1 211.0 6.8 212.0 3.4 213.0 2.5 214.0 1.1 220.0 1.5 221.0 1.9 222.0 3.6 223.0 4.3 224.0 4.2 225.0 3.9 226.0 3.3 227.0 3.3 228.0 2.1 234.0 1.0 235.0 2.8 236.0 2.9 237.0 3.7 238.0 6.2 239.0 7.3 240.0 4.3 241.0 3.3 242.0 2.4 243.0 1.3 249.0 1.5 250.0 2.7 251.0 6.3 252.0 4.8 253.0 4.3 254.0 14.9 255.0 5.8 256.0 3.7 257.0 1.7 263.0 1.3 264.0 1.7 265.0 4.9 266.0 8.4 267.0 8.1 268.0 7.7 269.0 12.3 270.0 9.6 271.0 4.2 272.0 1.2 278.0 1.3 279.0 2.7 280.0 3.2 281.0 30.8 282.0 15.6 283.0 7.8 284.0 5.2 285.0 3.0 286.0 4.3 287.0 1.2 293.0 1.3 294.0 7.2 295.0 3.5 296.0 6.9 297.0 38.5 298.0 20.8 299.0 9.8 300.0 9.6 301.0 2.4 307.0 1.0 308.0 1.8 309.0 3.2 310.0 3.4 311.0 16.1 312.0 100.0 313.0 21.5 314.0 10.4 315.0 2.7 322.0 4.2 323.0 1.6 324.0 2.0 325.0 6.1 326.0 3.5 327.0 2.1 328.0 9.0 329.0 2.5 338.0 1.5 339.0 1.8 340.0 8.7 341.0 2.7 342.0 2.4 343.0 2.2 353.0 1.2 356.0 7.8 357.0 4.1 358.0 1.0 370.0 1.8 371.0 29.4 372.0 6.9 373.0 1.1 381.0 1.4 385.0 2.1 399.0 41.5 400.0 9.9 401.0 1.7
400 MHz in CDCl3
-
1H NMR 399.65 MHz C22 H25 N O6 0.039 g : 0.5 ml CDCl3 colchicine 
Assign. Shift(ppm)
A 8.55 B 7.675 C 7.374 D 6.926 E 6.554 F 4.661 G *1 4.031 J *1 3.953 K *1 3.919 L *1 3.669 M 2.53 N 2.43 to 2.28 P 2.00 Q 1.965 ASSIGNED BY H-H AND C-H COSY. J(A,F)=6.0HZ J(C,D)=10.9HZ
Hz ppm Int.3422.12 8.563 43 3415.89 8.548 46 3067.38 7.676 162 2953.00 7.389 95 2942.14 7.362 112 2773.44 6.940 80 2762.21 6.912 73 2619.51 6.555 196 1610.96 4.031 454 1579.96 3.954 1000 1566.41 3.920 653 1466.31 3.669 852 1009.52 2.527 33 954.71 2.389 46 948.85 2.375 74 785.52 1.966 591
in CDCl3
KBr disc
nujol mull
