| SpectraBase Compound ID | 8uUMFBy8aT7 |
|---|---|
| InChI | InChI=1S/C18H36O6/c1-14(19)10-8-6-4-2-3-5-7-9-11-15(20)18(24)16(21)12-13-17(22)23/h14-16,18-21,24H,2-13H2,1H3,(H,22,23) |
| InChIKey | TUCKQGSURICJHR-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C18H36O6 |
| Exact Mass | 348.251189 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8kG6pOpFtzH |
|---|---|
| Name | Octadecanoic acid, 4,5,6,17-tetrahydroxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.251188873 u |
| Formula | C18H36O6 |
| InChI | InChI=1S/C18H36O6/c1-14(19)10-8-6-4-2-3-5-7-9-11-15(20)18(24)16(21)12-13-17(22)23/h14-16,18-21,24H,2-13H2,1H3,(H,22,23) |
| InChIKey | TUCKQGSURICJHR-UHFFFAOYSA-N |
| Molecular Weight | 348.480 g/mol |
| SMILES | CC(CCCCCCCCCCC(C(C(CCC(O)=O)O)O)O)O |