Cholesterol n-nonyl carbonate(15455-83-1) MS
Product NameCholesterol n-nonyl carbonate
CAS15455-83-1
Molecular FormulaC37H64O3
Molecular Weight556.9
InChIInChI=1/C37H64O3/c1-7-8-9-10-11-12-13-25-39-35(38)40-30-21-23-36(5)29(26-30)17-18-31-33-20-19-32(28(4)16-14-15-27(2)3)37(33,6)24-22-34(31)36/h17,27-28,30-34H,7-16,18-26H2,1-6H3/t28-,30+,31+,32-,33+,34+,36+,37-/s3
InChIKey CLVJSPXXNWCOJH-GUEQAJQMNA-N
Smiles[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)OCCCCCCCCC)CC1=CC2)[H] |&1:0,1,5,7,10,12,20,24,r|
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MassMS2001-00211WA 5-cholesten-3beta-yl nonyl carbonate C37H64O3 (Mass of molecular ion: 556)
Source Temperature: 210 °C Sample Temperature: 100 °C Direct, 70 eV
29.0 1.4 41.0 4.8 42.0 1.6 43.0 17.1 55.0 5.4 56.0 2.4 57.0 8.8 67.0 2.0 69.0 4.8 70.0 2.0 71.0 5.6 79.0 1.8 81.0 4.6 83.0 2.6 85.0 2.1 91.0 2.4 93.0 3.2 95.0 4.0 97.0 1.7 105.0 4.0 106.0 1.4 107.0 3.8 108.0 1.3 109.0 2.6 117.0 1.4 119.0 2.8 120.0 3.0 121.0 3.2 123.0 1.2 131.0 2.7 133.0 3.7 134.0 1.0 135.0 2.4 143.0 2.6 144.0 1.2 145.0 6.7 146.0 2.2 147.0 6.9 148.0 1.7 149.0 1.7 157.0 1.7 158.0 1.6 159.0 4.0 160.0 2.3 161.0 2.9 163.0 1.1 171.0 1.0 173.0 1.5 175.0 1.0 185.0 1.1 199.0 1.6 201.0 1.0 205.0 1.0 213.0 3.9 214.0 1.4 215.0 1.3 228.0 1.1 247.0 5.9 248.0 1.4 255.0 5.4 256.0 1.2 260.0 5.6 261.0 1.8 283.0 1.0 326.0 1.1 353.0 8.6 354.0 2.6 366.0 1.6 367.0 1.8 368.0 100.0 369.0 38.5 370.0 7.5 371.0 1.1
KBr disc
nujol mull
