| SpectraBase Compound ID | Hd8yepOYOZq |
|---|---|
| InChI | InChI=1S/C33H54O4/c1-22(2)9-8-10-23(3)27-15-16-28-26-14-13-24-21-25(37-31(36)12-7-6-11-30(34)35)17-19-32(24,4)29(26)18-20-33(27,28)5/h13,22-23,25-29H,6-12,14-21H2,1-5H3,(H,34,35)/t23-,25+,26+,27-,28+,29+,32+,33-/m1/s1 |
| InChIKey | XPWINNJHPSXNPE-ACBDEFBISA-N |
| Mol Weight | 514.8 g/mol |
| Molecular Formula | C33H54O4 |
| Exact Mass | 514.40221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESrstjg7EDw |
|---|---|
| Name | Cholesterol, adipate (2:1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 514.402210215 u |
| Formula | C33H54O4 |
| InChI | InChI=1S/C33H54O4/c1-22(2)9-8-10-23(3)27-15-16-28-26-14-13-24-21-25(37-31(36)12-7-6-11-30(34)35)17-19-32(24,4)29(26)18-20-33(27,28)5/h13,22-23,25-29H,6-12,14-21H2,1-5H3,(H,34,35)/t23-,25+,26+,27-,28+,29+,32+,33-/m1/s1 |
| InChIKey | XPWINNJHPSXNPE-ACBDEFBISA-N |
| Molecular Weight | 514.791 g/mol |
| Nominal Mass | 514 u |
| SMILES | OC(CCCCC(=O)O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@](C)(CCCC(C)C)[H])[H])[H])C)[H])C)[H])=O |