| SpectraBase Compound ID | 3oELLgt0n2E |
|---|---|
| InChI | InChI=1S/C26H38O6/c1-19(27)15-16-20(28)13-11-9-7-5-4-6-8-10-12-14-23-22-17-21(30-2)18-24(31-3)25(22)26(29)32-23/h17-18,23H,4-16H2,1-3H3 |
| InChIKey | NQKXBADVXNZTJB-UHFFFAOYSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C26H38O6 |
| Exact Mass | 446.266839 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LspPRjxY1on |
|---|---|
| Name | (+-)-cj-13,103 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.266838938 u |
| Formula | C26H38O6 |
| InChI | InChI=1S/C26H38O6/c1-19(27)15-16-20(28)13-11-9-7-5-4-6-8-10-12-14-23-22-17-21(30-2)18-24(31-3)25(22)26(29)32-23/h17-18,23H,4-16H2,1-3H3 |
| InChIKey | NQKXBADVXNZTJB-UHFFFAOYSA-N |
| Molecular Weight | 446.584 g/mol |
| SMILES | C=12C(OC(C2=CC(=CC1OC)OC)CCCCCCCCCCCC(=O)CCC(=O)C)=O |