| SpectraBase Compound ID | KpL4MvOTjrt |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-5-6-8-17-19(2,3)12-7-13-20(17,4)18(21)10-9-16-11-14-22-15-16/h5-6,11,14-15,17H,7-10,12-13H2,1-4H3/b6-5+/t17-,20-/m0/s1 |
| InChIKey | DYCPAYBNADZSDT-YWMZBHJASA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LPTRyLl5Zn8 |
|---|---|
| Name | 15,16-Epoxy-9-oxo-8,9-seco-labda-7,13(16),14-triene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.224580204 u |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-5-6-8-17-19(2,3)12-7-13-20(17,4)18(21)10-9-16-11-14-22-15-16/h5-6,11,14-15,17H,7-10,12-13H2,1-4H3/b6-5+/t17-,20-/m0/s1 |
| InChIKey | DYCPAYBNADZSDT-YWMZBHJASA-N |
| SMILES | [C@@]1([C@](C(C)(C)CCC1)(C\C=C\C)[H])(C(=O)CCC1=COC=C1)C |