| SpectraBase Compound ID | FIgXoLAE25L |
|---|---|
| InChI | InChI=1S/C17H18O5/c1-4-5-6-7-14-8-13-9-15(20-11(2)18)10-16(17(13)22-14)21-12(3)19/h4-7,9-10,14H,8H2,1-3H3/b5-4+,7-6+/t14-/m0/s1 |
| InChIKey | WENWAEWDNIXIPJ-WQWHYOKSSA-N |
| Mol Weight | 302.33 g/mol |
| Molecular Formula | C17H18O5 |
| Exact Mass | 302.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9kr3Humt1Py |
|---|---|
| Name | Asperfuran, diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.115423675 u |
| Formula | C17H18O5 |
| InChI | InChI=1S/C17H18O5/c1-4-5-6-7-14-8-13-9-15(20-11(2)18)10-16(17(13)22-14)21-12(3)19/h4-7,9-10,14H,8H2,1-3H3/b5-4+,7-6+/t14-/m0/s1 |
| InChIKey | WENWAEWDNIXIPJ-WQWHYOKSSA-N |
| SMILES | C1(OC(=O)C)=C2O[C@@](\C=C\C=C\C)(CC2=CC(OC(=O)C)=C1)[H] |