| SpectraBase Compound ID | 4p27mAIDeOK |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-12-7-5-9-13(2)17-18-15(14(3)19(22)23-18)11-16(21)20(4,24-17)10-6-8-12/h7,13,15-18,21H,3,5-6,8-11H2,1-2,4H3/b12-7-/t13-,15+,16-,17+,18-,20+/m1/s1 |
| InChIKey | IDGMVMANLGPFKN-FIFDXWJNSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7T8ijT1rUXu |
|---|---|
| Name | 4(S),13-Epoxy-3(R)-hydroxycembra-8,15(17)-dien-16,14-olide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-12-7-5-9-13(2)17-18-15(14(3)19(22)23-18)11-16(21)20(4,24-17)10-6-8-12/h7,13,15-18,21H,3,5-6,8-11H2,1-2,4H3/b12-7-/t13-,15+,16-,17+,18-,20+/m1/s1 |
| InChIKey | IDGMVMANLGPFKN-FIFDXWJNSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | [C@]12([C@](C(=C)C(O2)=O)(C[C@@](O)([C@]2(O[C@]1([C@@](CC\C=C\(C)CCC2)(C)[H])[H])C)[H])[H])[H] |