COPROSTANE(481-20-9) Raman
Product NameCOPROSTANE
CAS481-20-9
Molecular FormulaC27H48
Molecular Weight372.67
InChIInChI=1/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27-/s3
InChIKey XIIAYQZJNBULGD-UDKPEZOTNA-N
Smiles[C@@]12([H])CC[C@]3([H])CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C |&1:0,4,10,12,16,18,21,23,r|
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MassMS-NW-6969 5beta-cholestane C27H48 (Mass of molecular ion: 372)
Source Temperature: 210 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.1 27.0 1.8 29.0 5.9 39.0 1.6 41.0 17.5 42.0 1.7 43.0 22.4 53.0 3.3 54.0 1.5 55.0 29.3 56.0 2.5 57.0 13.6 65.0 1.1 67.0 22.8 68.0 7.1 69.0 15.7 70.0 1.5 71.0 6.0 77.0 3.9 78.0 1.0 79.0 13.6 80.0 3.9 81.0 31.1 82.0 7.3 83.0 12.3 84.0 1.1 85.0 1.3 91.0 7.5 92.0 2.0 93.0 15.9 94.0 6.8 95.0 34.5 96.0 5.4 97.0 8.5 105.0 6.0 106.0 2.5 107.0 15.0 108.0 25.7 109.0 32.5 110.0 4.6 111.0 3.6 119.0 3.4 120.0 2.6 121.0 16.3 122.0 15.5 123.0 17.8 124.0 2.4 125.0 1.2 133.0 3.9 134.0 2.3 135.0 12.5 136.0 6.4 137.0 7.1 138.0 1.1 147.0 5.7 148.0 8.3 149.0 21.3 150.0 17.5 151.0 28.7 152.0 12.0 153.0 1.8 161.0 5.4 162.0 6.7 163.0 8.5 164.0 2.8 165.0 1.4 175.0 6.8 176.0 3.5 177.0 2.6 189.0 3.5 190.0 2.3 191.0 1.5 203.0 9.4 204.0 2.6 205.0 1.2 208.0 1.8 216.0 1.5 217.0 100.0 218.0 57.3 219.0 15.4 220.0 2.2 231.0 1.8 232.0 11.8 233.0 3.6 247.0 1.2 259.0 2.4 262.0 6.6 263.0 1.7 276.0 3.1 287.0 1.0 315.0 2.2 316.0 1.6 357.0 37.7 358.0 11.3 359.0 1.7 372.0 76.3 373.0 23.0 374.0 3.6
KBr disc
nujol mull
4880 A,200 M,powder
