Dihydrocholesterol(80-97-7) Raman
Product NameDihydrocholesterol
CAS80-97-7
Molecular FormulaC27H48O
Molecular Weight388.68
InChIInChI=1/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/s3
InChIKey QYIXCDOBOSTCEI-GPTIZIFDNA-N
SmilesC[C@]12CC[C@]3([H])[C@]4(CC[C@H](O)C[C@]4([H])CC[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CCCC(C)C)C |&1:1,4,6,9,12,16,18,22,24,r|
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MassMS-NW-2197 5alpha-cholestan-3beta-ol C27H48O (Mass of molecular ion: 388)
Source Temperature: 220 °C Sample Temperature: 150 °C Direct, 75 eV
17.0 4.0 18.0 18.3 27.0 6.7 28.0 1.8 29.0 20.2 39.0 5.7 40.0 1.5 41.0 51.2 42.0 5.0 43.0 62.8 44.0 2.2 53.0 9.1 54.0 3.0 55.0 65.5 56.0 7.2 57.0 43.7 58.0 1.8 65.0 3.5 66.0 2.0 67.0 44.2 68.0 13.8 69.0 42.2 70.0 5.3 71.0 18.9 72.0 1.1 77.0 11.1 78.0 2.9 79.0 36.9 80.0 9.4 81.0 70.3 82.0 16.4 83.0 29.3 84.0 2.6 85.0 4.4 91.0 28.6 92.0 9.0 93.0 46.5 94.0 19.2 95.0 68.9 96.0 9.6 97.0 19.8 98.0 1.8 99.0 1.3 103.0 1.1 104.0 2.4 105.0 29.6 106.0 22.5 107.0 62.7 108.0 65.7 109.0 47.4 110.0 7.7 111.0 17.3 112.0 1.9 113.0 1.3 115.0 2.0 117.0 4.5 118.0 3.0 119.0 21.5 120.0 16.3 121.0 43.0 122.0 28.8 123.0 31.9 124.0 16.4 125.0 7.1 126.0 1.7 127.0 1.3 128.0 1.6 129.0 1.6 131.0 7.1 132.0 2.9 133.0 21.0 134.0 16.7 135.0 30.7 136.0 16.9 137.0 12.4 138.0 6.8 139.0 2.5 143.0 1.4 145.0 12.7 146.0 5.0 147.0 31.9 148.0 16.3 149.0 28.9 150.0 6.4 151.0 6.5 152.0 4.3 153.0 1.7 157.0 1.2 159.0 8.6 160.0 7.4 161.0 25.1 162.0 15.1 163.0 13.1 164.0 5.1 165.0 46.2 166.0 18.8 167.0 4.7 173.0 8.1 174.0 4.8 175.0 12.1 176.0 11.3 177.0 7.2 178.0 5.7 179.0 3.3 187.0 6.0 188.0 4.9 189.0 7.1 190.0 10.1 191.0 6.5 192.0 3.1 193.0 3.4 194.0 1.1 199.0 1.3 201.0 13.5 202.0 5.4 203.0 14.0 204.0 4.7 205.0 4.0 206.0 7.3 207.0 2.6 208.0 3.9 213.0 1.6 214.0 1.3 215.0 91.5 216.0 45.9 217.0 50.0 218.0 13.1 219.0 12.6 220.0 4.4 221.0 1.2 229.0 4.9 230.0 14.9 231.0 18.5 232.0 12.2 233.0 100.0 234.0 83.5 235.0 14.0 236.0 1.5 243.0 2.3 244.0 1.3 245.0 1.5 246.0 2.4 247.0 4.4 248.0 19.8 249.0 4.3 255.0 2.0 256.0 2.0 257.0 52.5 258.0 12.1 259.0 2.8 260.0 2.4 261.0 2.5 262.0 16.2 263.0 5.8 264.0 1.6 273.0 2.3 274.0 2.9 275.0 5.2 276.0 2.7 285.0 4.2 286.0 1.6 287.0 1.6 288.0 3.8 289.0 2.1 301.0 3.2 302.0 1.4 314.0 1.5 315.0 2.3 316.0 18.9 317.0 5.1 328.0 1.0 329.0 1.3 331.0 3.8 332.0 1.0 355.0 23.8 356.0 7.2 357.0 3.0 368.0 1.4 369.0 1.5 370.0 41.9 371.0 14.0 372.0 5.4 373.0 18.3 374.0 5.9 386.0 5.6 387.0 2.1 388.0 58.8 389.0 17.8 390.0 2.6
in CDCl3
CCl4 solution
KBr disc
