Resibufogenin(465-39-4) MS
Product NameResibufogenin
CAS465-39-4
Molecular FormulaC24H32O4
Molecular Weight384.51
InChIInChI=1/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19-,20-,22+,23-,24-/s3
InChIKey ATLJNLYIJOCWJE-XRXLLTHPNA-N
Smiles[C@@]123O[C@]1([H])C[C@H](C1=COC(=O)C=C1)[C@@]2(C)CC[C@]1([H])[C@@]2(C)CC[C@H](O)C[C@@]2([H])CC[C@@]31[H] |&1:0,2,5,13,17,19,23,26,30,r|
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MassMS-IW-9600 14,15beta-epoxy-3beta-hydroxy-5beta,14beta-bufa-20,22-dienolide C24H32O4 (Mass of molecular ion: 384)
Source Temperature: 190 °C Sample Temperature: 180 °C Direct, 75 eV
17.0 7.3 18.0 37.0 27.0 9.1 28.0 10.3 29.0 16.0 31.0 1.6 39.0 15.2 40.0 3.7 41.0 49.0 42.0 3.0 43.0 22.3 44.0 4.3 45.0 1.0 50.0 1.4 51.0 5.6 52.0 3.3 53.0 19.6 54.0 4.3 55.0 47.6 56.0 2.5 57.0 7.5 63.0 2.3 64.0 1.3 65.0 14.9 66.0 12.1 67.0 41.0 68.0 6.1 69.0 15.6 70.0 1.7 71.0 2.7 76.0 1.5 77.0 33.9 78.0 10.4 79.0 57.8 80.0 10.3 81.0 52.6 82.0 11.5 83.0 9.1 84.0 1.9 85.0 1.6 89.0 2.8 90.0 1.4 91.0 56.1 92.0 13.2 93.0 50.9 94.0 26.2 95.0 54.4 96.0 7.9 97.0 7.6 98.0 1.4 99.0 1.2 101.0 1.9 102.0 1.8 103.0 5.4 104.0 4.2 105.0 59.2 106.0 28.4 107.0 100.0 108.0 38.1 109.0 37.3 110.0 9.0 111.0 5.2 112.0 1.3 113.0 1.6 114.0 1.1 115.0 10.7 116.0 5.0 117.0 15.0 118.0 10.3 119.0 32.0 120.0 16.4 121.0 41.5 122.0 33.5 123.0 39.9 124.0 18.0 125.0 7.9 126.0 2.6 127.0 3.7 128.0 9.6 129.0 12.3 130.0 6.3 131.0 25.1 132.0 10.4 133.0 28.9 134.0 46.6 135.0 40.4 136.0 12.6 137.0 6.8 138.0 6.0 139.0 3.4 140.0 1.1 141.0 7.7 142.0 5.9 143.0 13.3 144.0 8.4 145.0 31.4 146.0 11.2 147.0 33.9 148.0 15.7 149.0 19.5 150.0 7.3 151.0 8.1 152.0 8.4 153.0 6.5 154.0 3.6 155.0 7.3 156.0 4.8 157.0 12.4 158.0 9.9 159.0 26.5 160.0 30.1 161.0 44.6 162.0 15.9 163.0 8.7 164.0 3.0 165.0 7.0 166.0 3.3 167.0 4.2 168.0 2.8 169.0 6.9 170.0 3.9 171.0 9.4 172.0 6.3 173.0 15.4 174.0 9.6 175.0 11.0 176.0 6.9 177.0 6.9 178.0 6.6 179.0 5.1 180.0 2.5 181.0 4.7 182.0 3.1 183.0 6.9 184.0 3.6 185.0 8.3 186.0 6.1 187.0 14.0 188.0 6.8 189.0 7.8 190.0 7.6 191.0 10.0 192.0 3.7 193.0 4.3 194.0 2.7 195.0 4.9 196.0 3.1 197.0 6.9 198.0 4.2 199.0 10.1 200.0 5.7 201.0 16.4 202.0 6.7 203.0 7.2 204.0 17.4 205.0 7.9 206.0 3.7 207.0 3.4 208.0 2.1 209.0 4.1 210.0 2.7 211.0 8.9 212.0 5.3 213.0 15.4 214.0 10.3 215.0 67.7 216.0 29.6 217.0 15.2 218.0 4.7 219.0 4.1 220.0 2.1 221.0 2.5 222.0 1.8 223.0 3.2 224.0 2.3 225.0 4.7 226.0 5.7 227.0 6.9 228.0 7.9 229.0 12.2 230.0 5.7 231.0 4.9 232.0 3.8 233.0 39.8 234.0 10.8 235.0 3.4 236.0 1.6 237.0 2.8 238.0 2.2 239.0 4.8 240.0 5.4 241.0 6.0 242.0 3.6 243.0 6.6 244.0 4.7 245.0 3.7 246.0 2.3 247.0 2.5 248.0 1.8 249.0 1.8 250.0 4.9 251.0 2.8 252.0 2.7 253.0 3.0 254.0 3.9 255.0 4.4 256.0 3.0 257.0 3.6 258.0 4.2 259.0 2.9 260.0 1.4 261.0 3.3 262.0 1.4 263.0 1.2 265.0 1.7 266.0 1.5 267.0 1.4 268.0 1.0 269.0 1.2 270.0 2.2 271.0 2.2 272.0 2.0 273.0 2.5 275.0 1.1 277.0 1.1 279.0 1.5 281.0 1.1 283.0 1.5 284.0 1.6 285.0 1.0 289.0 1.0 291.0 1.1 292.0 1.0 293.0 1.8 294.0 7.6 295.0 2.5 296.0 1.5 297.0 1.5 304.0 1.1 305.0 1.5 306.0 1.0 307.0 1.7 309.0 1.2 310.0 1.2 311.0 1.7 312.0 8.1 313.0 1.9 320.0 1.7 321.0 1.6 322.0 1.2 323.0 2.3 324.0 1.9 325.0 1.3 333.0 5.9 334.0 1.6 337.0 1.3 338.0 4.9 339.0 1.4 348.0 10.6 349.0 3.2 350.0 1.1 351.0 6.0 352.0 1.6 366.0 28.1 367.0 8.0 368.0 1.3 384.0 3.4 385.0 1.5
KBr disc
nujol mull
