Cholesterol n-heptyl carbonate(15455-81-9) MS
Product NameCholesterol n-heptyl carbonate
CAS15455-81-9
Molecular FormulaC35H60O3
Molecular Weight528.85
InChIInChI=1/C35H60O3/c1-7-8-9-10-11-23-37-33(36)38-28-19-21-34(5)27(24-28)15-16-29-31-18-17-30(26(4)14-12-13-25(2)3)35(31,6)22-20-32(29)34/h15,25-26,28-32H,7-14,16-24H2,1-6H3/t26-,28+,29+,30-,31+,32+,34+,35-/s3
InChIKey VVEXXPUMMZEWSU-FTOCEYIINA-N
Smiles[C@@]12([H])CC=C3C[C@@H](OC(=O)OCCCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C |&1:0,6,20,22,26,28,31,33,r|
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MassMS2001-00210WA 5-cholesten-3beta-yl heptyl carbonate C35H60O3 (Mass of molecular ion: 528)
Source Temperature: 215 °C Sample Temperature: 60 °C Direct, 70 eV
29.0 1.1 41.0 3.0 43.0 7.1 55.0 4.0 56.0 1.3 57.0 7.7 67.0 2.2 69.0 3.1 70.0 1.1 71.0 2.2 79.0 2.0 81.0 5.4 83.0 1.7 91.0 2.5 93.0 3.6 94.0 1.0 95.0 4.5 97.0 1.2 105.0 4.2 106.0 1.5 107.0 4.4 108.0 1.5 109.0 2.8 117.0 1.4 119.0 3.0 120.0 3.3 121.0 3.5 123.0 1.3 131.0 2.7 133.0 4.0 134.0 1.1 135.0 2.7 143.0 2.5 144.0 1.1 145.0 6.9 146.0 2.4 147.0 8.1 148.0 1.9 149.0 1.9 157.0 1.6 158.0 1.6 159.0 3.9 160.0 2.4 161.0 3.0 163.0 1.3 171.0 1.0 173.0 1.5 175.0 1.1 185.0 1.0 199.0 1.4 201.0 1.0 205.0 1.2 206.0 1.0 213.0 3.8 214.0 1.2 215.0 1.0 228.0 1.2 246.0 1.0 247.0 6.9 248.0 1.7 255.0 5.8 256.0 1.3 260.0 7.0 261.0 2.2 326.0 1.3 353.0 10.2 354.0 3.0 366.0 1.4 367.0 1.6 368.0 100.0 369.0 36.2 370.0 6.5
KBr disc
nujol mull
