| SpectraBase Compound ID | 8iKCwclogmx |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-12-7-5-9-13(2)17-18-15(14(3)19(21)24-18)11-16(23-17)20(4,22)10-6-8-12/h7,13,15-18,22H,3,5-6,8-11H2,1-2,4H3/b12-7-/t13-,15-,16-,17+,18+,20+/m0/s1 |
| InChIKey | QVPVSSAPUVLMJP-FTWLZTGBSA-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 | LgNptLvkcuj |
|---|---|
| Name | 3,13-Epoxy-4-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(21)24-18)11-16(23-17)20(4,22)10-6-8-12/h7,13,15-18,22H,3,5-6,8-11H2,1-2,4H3/b12-7-/t13-,15-,16-,17+,18+,20+/m0/s1 |
| InChIKey | QVPVSSAPUVLMJP-FTWLZTGBSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | [C@]12([C@](C(=C)C(O2)=O)(C[C@@]2(O[C@@]1([C@](CC\C=C/(CCC[C@]2(O)C)C)(C)[H])[H])[H])[H])[H] |