5α-Cholestane(481-21-0) 13C NMR
Product Name5α-Cholestane
CAS481-21-0
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-MOQCDQTFNA-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-6958 5alpha-cholestane C27H48 (Mass of molecular ion: 372)
Source Temperature: 240 °C Sample Temperature: 140 °C Direct, 75 eV
27.0 2.7 29.0 7.3 39.0 2.1 41.0 21.6 42.0 2.4 43.0 29.2 44.0 1.0 53.0 4.1 54.0 1.8 55.0 31.3 56.0 3.0 57.0 15.4 65.0 1.3 67.0 26.1 68.0 7.4 69.0 16.5 70.0 1.6 71.0 6.4 77.0 4.3 78.0 1.1 79.0 14.7 80.0 4.0 81.0 31.9 82.0 6.4 83.0 12.5 84.0 1.1 85.0 1.4 91.0 8.5 92.0 2.3 93.0 16.9 94.0 6.5 95.0 33.3 96.0 4.9 97.0 8.6 105.0 5.8 106.0 2.6 107.0 15.3 108.0 13.9 109.0 33.0 110.0 4.6 111.0 3.9 117.0 1.1 119.0 3.8 120.0 2.1 121.0 16.8 122.0 13.6 123.0 15.8 124.0 2.2 125.0 1.2 131.0 1.0 133.0 4.0 134.0 2.4 135.0 14.0 136.0 6.0 137.0 6.9 138.0 1.0 147.0 6.6 148.0 11.2 149.0 41.0 150.0 15.9 151.0 7.7 152.0 2.0 161.0 5.4 162.0 6.7 163.0 8.0 164.0 2.0 165.0 1.3 175.0 8.3 176.0 3.2 177.0 2.6 178.0 1.0 189.0 3.7 190.0 3.5 191.0 1.7 203.0 11.7 204.0 3.3 205.0 1.4 208.0 1.1 216.0 1.7 217.0 100.0 218.0 68.0 219.0 20.0 220.0 2.9 231.0 1.8 232.0 15.7 233.0 4.1 259.0 2.3 262.0 11.6 263.0 3.0 275.0 1.0 276.0 1.0 287.0 1.0 315.0 1.4 357.0 32.4 358.0 9.5 359.0 1.4 371.0 1.2 372.0 68.3 373.0 19.9 374.0 3.1
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
