Cholesteryl heptadecanoate(24365-37-5) 1H NMR
Product NameCholesteryl heptadecanoate
CAS24365-37-5
Molecular FormulaC44H78O2
Molecular Weight639.09
InChIInChI=1/C44H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-42(45)46-37-29-31-43(5)36(33-37)25-26-38-40-28-27-39(35(4)23-21-22-34(2)3)44(40,6)32-30-41(38)43/h25,34-35,37-41H,7-24,26-33H2,1-6H3/t35-,37+,38+,39-,40+,41+,43+,44-/s3
InChIKey PPQNZVDOBYGOLY-CPVOTCJHNA-N
Smiles[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CC=C1C[C@@H](OC(=O)CCCCCCCCCCCCCCCC)CC[C@]21C)[C@H](C)CCCC(C)C |&1:0,4,6,9,11,17,39,41,r|
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ppm Int. Assign.
173.22 187 1 139.82 257 2 122.57 182 3 73.72 193 4 56.80 186 5 56.29 177 6 50.19 184 7 42.42 247 8 39.86 156 9 39.60 212 10 38.26 157 11 37.11 152 12 36.69 254 13 36.28 158 14 35.84 176 15 34.77 171 16 31.98 498 17 18 19 29.73 1000 20 * 29.50 246 21 * 29.39 268 22 * 29.28 220 23 * 29.16 217 24 28.25 159 25 28.05 265 26 27.91 154 27 25.12 198 28 24.34 135 29 23.92 171 30 22.81 242 31 # 22.70 235 32 22.58 210 33 # 21.13 137 34 19.34 199 35 18.77 179 36 14.09 202 37 11.90 201 38Spectral Code: 13C NMR : in CDCl3