Cholesteryl formate(4351-55-7) MS
Product NameCholesteryl formate
CAS4351-55-7
Molecular FormulaC28H46O2
Molecular Weight414.66
InChIInChI=1/C28H46O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18-20,22-26H,6-8,10-17H2,1-5H3/t20-,22+,23+,24-,25+,26+,27+,28-/s3
InChIKey YEYCQJVCAMFWCO-GUUSYENVNA-N
Smiles[C@@]12([H])CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](OC=O)CC3=CC[C@@]21[H] |&1:0,4,5,13,17,19,23,31,r|
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MassMS-NW-2282 cholesterol formate C28H46O2 (Mass of molecular ion: 414)
Source Temperature: 210 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 2.2 18.0 10.9 27.0 5.3 28.0 5.1 29.0 13.4 39.0 4.4 40.0 1.1 41.0 35.7 42.0 3.1 43.0 46.2 44.0 3.7 45.0 7.1 46.0 9.5 53.0 6.1 54.0 1.0 55.0 39.5 56.0 3.7 57.0 30.7 58.0 1.3 65.0 3.1 66.0 1.1 67.0 25.7 68.0 3.3 69.0 23.9 70.0 2.1 71.0 15.7 77.0 9.2 78.0 2.9 79.0 22.3 80.0 4.1 81.0 51.9 82.0 5.6 83.0 17.6 84.0 1.4 85.0 3.7 91.0 28.5 92.0 7.0 93.0 28.8 94.0 7.3 95.0 35.3 96.0 3.8 97.0 9.7 99.0 1.1 103.0 2.2 104.0 2.6 105.0 33.7 106.0 12.2 107.0 32.4 108.0 11.0 109.0 23.2 110.0 3.1 111.0 6.3 113.0 1.4 115.0 4.3 116.0 2.4 117.0 11.7 118.0 6.8 119.0 18.8 120.0 18.5 121.0 38.7 122.0 7.8 123.0 9.6 124.0 2.1 125.0 2.4 127.0 1.3 128.0 5.1 129.0 8.4 130.0 4.4 131.0 18.5 132.0 5.4 133.0 21.0 134.0 6.6 135.0 19.2 136.0 4.0 137.0 4.9 141.0 3.6 142.0 3.7 143.0 15.7 144.0 6.6 145.0 44.6 146.0 15.5 147.0 40.9 148.0 11.9 149.0 12.5 150.0 2.1 151.0 3.2 153.0 1.1 155.0 3.4 156.0 2.1 157.0 9.3 158.0 8.2 159.0 23.3 160.0 17.7 161.0 17.6 162.0 5.7 163.0 9.9 164.0 1.6 165.0 2.8 167.0 1.2 169.0 2.4 170.0 1.2 171.0 6.2 172.0 3.2 173.0 9.7 174.0 4.1 175.0 5.4 176.0 1.6 177.0 3.0 179.0 1.7 183.0 2.0 184.0 1.1 185.0 6.2 186.0 2.6 187.0 5.7 188.0 1.5 189.0 3.0 191.0 3.2 192.0 1.3 193.0 3.1 195.0 1.0 197.0 2.7 198.0 1.4 199.0 7.5 200.0 4.0 201.0 9.1 202.0 6.8 203.0 2.3 205.0 5.4 206.0 16.2 207.0 4.5 211.0 4.2 212.0 2.5 213.0 19.2 214.0 6.9 215.0 6.1 216.0 3.8 217.0 1.5 219.0 3.0 220.0 1.1 225.0 1.2 226.0 1.4 227.0 3.6 228.0 5.9 229.0 4.6 230.0 1.2 231.0 1.3 239.0 2.0 240.0 1.2 241.0 3.1 242.0 1.2 243.0 1.6 245.0 2.9 246.0 4.7 247.0 32.8 248.0 7.4 249.0 1.1 251.0 1.1 253.0 11.5 254.0 3.6 255.0 51.2 256.0 12.0 257.0 11.0 258.0 3.6 259.0 3.4 260.0 14.5 261.0 5.4 262.0 1.2 269.0 1.1 271.0 2.2 273.0 1.2 274.0 2.1 275.0 2.4 279.0 1.6 281.0 3.5 282.0 1.2 283.0 16.8 284.0 5.3 285.0 2.2 286.0 1.0 297.0 1.8 299.0 1.0 314.0 1.8 326.0 1.9 339.0 1.0 351.0 2.7 352.0 1.3 353.0 31.1 354.0 9.1 355.0 3.7 364.0 1.3 366.0 6.9 367.0 3.6 368.0 100.0 369.0 30.2 370.0 6.5 371.0 1.3
CCl4 solution
KBr disc
nujol mull
