beta-Sitosterol(83-46-5) Raman
Product Namebeta-Sitosterol
CAS83-46-5
Molecular FormulaC29H50O
Molecular Weight414.72
InChIInChI=1/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/s3
InChIKey KZJWDPNRJALLNS-HKAACAJGNA-N
SmilesC[C@]12CC[C@]3([H])[C@]4(CC[C@H](O)CC4=CC[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CC[C@@H](CC)C(C)C)C |&1:1,4,6,9,15,17,21,23,27,r|
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MassMS-NW-9980 5-stigmasten-3beta-ol C29H50O (Mass of molecular ion: 414)
Source Temperature: 190 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 2.4 27.0 1.4 29.0 4.0 39.0 1.2 41.0 15.2 42.0 1.8 43.0 32.8 44.0 1.1 53.0 2.9 55.0 28.1 56.0 2.0 57.0 20.3 58.0 1.0 65.0 1.7 67.0 17.3 68.0 2.5 69.0 19.8 70.0 1.8 71.0 16.0 72.0 1.0 77.0 6.2 78.0 1.8 79.0 20.3 80.0 3.2 81.0 34.5 82.0 4.3 83.0 14.8 84.0 1.7 85.0 11.4 91.0 23.4 92.0 5.8 93.0 24.6 94.0 7.3 95.0 33.2 96.0 4.6 97.0 13.2 98.0 1.4 99.0 2.5 103.0 1.5 104.0 1.7 105.0 30.3 106.0 9.5 107.0 35.0 108.0 11.2 109.0 20.5 110.0 3.9 111.0 8.6 113.0 1.0 115.0 2.4 116.0 1.5 117.0 10.5 118.0 6.2 119.0 23.3 120.0 17.1 121.0 23.2 122.0 7.0 123.0 13.1 124.0 5.8 125.0 7.7 127.0 1.4 128.0 3.0 129.0 6.8 130.0 3.8 131.0 19.5 132.0 6.5 133.0 27.0 134.0 10.5 135.0 23.2 136.0 7.2 137.0 8.8 138.0 3.3 139.0 3.2 141.0 2.3 142.0 2.2 143.0 15.2 144.0 7.1 145.0 41.7 146.0 12.2 147.0 29.9 148.0 9.6 149.0 17.4 150.0 3.5 151.0 7.5 152.0 1.9 153.0 1.1 155.0 1.9 156.0 1.5 157.0 11.7 158.0 13.6 159.0 32.4 160.0 22.0 161.0 31.9 162.0 8.8 163.0 28.0 164.0 5.3 165.0 5.4 166.0 1.7 169.0 1.9 170.0 1.1 171.0 11.1 172.0 4.8 173.0 18.5 174.0 7.3 175.0 10.4 176.0 4.8 177.0 11.1 178.0 16.9 179.0 5.8 180.0 1.3 183.0 2.1 184.0 1.1 185.0 11.8 186.0 5.4 187.0 11.7 188.0 3.4 189.0 7.5 190.0 2.4 191.0 10.5 192.0 3.0 193.0 2.4 197.0 3.1 198.0 1.4 199.0 15.8 200.0 5.5 201.0 9.7 202.0 2.8 203.0 4.8 204.0 1.5 205.0 8.4 206.0 1.8 207.0 2.7 211.0 3.1 212.0 1.8 213.0 43.0 214.0 12.9 215.0 13.2 216.0 4.1 217.0 6.1 218.0 2.6 219.0 5.8 220.0 3.4 221.0 3.5 225.0 1.3 227.0 9.1 228.0 12.4 229.0 14.6 230.0 4.5 231.0 29.4 232.0 9.4 233.0 7.8 234.0 6.4 235.0 2.5 239.0 2.5 240.0 1.1 241.0 6.9 242.0 2.3 243.0 2.1 244.0 1.0 245.0 4.2 246.0 7.0 247.0 5.9 248.0 3.0 253.0 3.2 254.0 2.4 255.0 44.1 256.0 10.1 257.0 5.1 258.0 2.1 259.0 3.9 260.0 3.9 261.0 10.0 262.0 2.7 267.0 1.2 269.0 1.9 270.0 1.8 271.0 7.9 272.0 5.7 273.0 33.6 274.0 13.4 275.0 13.4 276.0 4.4 281.0 2.8 282.0 1.5 283.0 6.7 284.0 2.0 285.0 2.3 286.0 1.0 287.0 2.8 288.0 11.5 289.0 26.6 290.0 7.3 291.0 1.1 296.0 2.1 297.0 1.7 299.0 4.1 300.0 4.6 301.0 5.5 302.0 11.7 303.0 31.7 304.0 7.7 305.0 1.0 313.0 1.5 314.0 10.7 315.0 29.7 316.0 8.3 317.0 1.3 325.0 1.4 327.0 2.8 328.0 4.9 329.0 37.7 330.0 10.6 331.0 1.8 339.0 2.2 340.0 4.7 341.0 5.1 342.0 3.7 343.0 3.2 344.0 1.4 351.0 2.0 353.0 2.9 354.0 7.1 355.0 4.5 356.0 2.9 357.0 4.1 358.0 1.4 365.0 1.0 367.0 24.5 368.0 9.3 369.0 4.3 370.0 2.4 371.0 3.0 372.0 1.3 379.0 1.7 380.0 2.2 381.0 31.3 382.0 53.2 383.0 17.4 384.0 5.8 385.0 21.3 386.0 7.9 387.0 1.9 394.0 3.2 395.0 2.3 396.0 60.1 397.0 20.6 398.0 8.5 399.0 29.9 400.0 76.0 401.0 22.8 402.0 4.7 412.0 8.2 413.0 3.5 414.0 100.0 415.0 31.9 416.0 6.6 417.0 1.0
KBr disc
nujol mull
