| SpectraBase Compound ID | 3ZTP37RYgE7 |
|---|---|
| InChI | InChI=1S/C20H36O2/c1-16(2)9-6-13-20(5,22)14-8-12-19(4)11-7-10-17(3)18(19)15-21/h9-10,18,21-22H,6-8,11-15H2,1-5H3 |
| InChIKey | LDQXBUKVIUWVJR-UHFFFAOYSA-N |
| Mol Weight | 308.5 g/mol |
| Molecular Formula | C20H36O2 |
| Exact Mass | 308.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kb0NfcVlAOw |
|---|---|
| Name | (+-)-1-epi-magydardienediol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.271530397 u |
| Formula | C20H36O2 |
| InChI | InChI=1S/C20H36O2/c1-16(2)9-6-13-20(5,22)14-8-12-19(4)11-7-10-17(3)18(19)15-21/h9-10,18,21-22H,6-8,11-15H2,1-5H3 |
| InChIKey | LDQXBUKVIUWVJR-UHFFFAOYSA-N |
| Molecular Weight | 308.506 g/mol |
| SMILES | C=1(C(C(CCCC(O)(CCC=C(C)C)C)(C)CCC1)CO)C |