| SpectraBase Compound ID | C1JVJ6QgPJD |
|---|---|
| InChI | InChI=1S/C21H16O5/c1-24-15-10-11-21(20-14(23)9-8-13(22)19(15)20)25-16-6-2-4-12-5-3-7-17(26-21)18(12)16/h2-9,15H,10-11H2,1H3 |
| InChIKey | LHCSRRCODDHFNE-UHFFFAOYSA-N |
| Mol Weight | 348.35 g/mol |
| Molecular Formula | C21H16O5 |
| Exact Mass | 348.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 38z5joplaFR |
|---|---|
| Name | Palmarumycin C5 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.099773610 u |
| Formula | C21H16O5 |
| InChI | InChI=1S/C21H16O5/c1-24-15-10-11-21(20-14(23)9-8-13(22)19(15)20)25-16-6-2-4-12-5-3-7-17(26-21)18(12)16/h2-9,15H,10-11H2,1H3 |
| InChIKey | LHCSRRCODDHFNE-UHFFFAOYSA-N |
| Molecular Weight | 348.354 g/mol |
| SMILES | C12(C3=C(C(=O)C=CC3=O)C(CC1)OC)OC1=CC=CC3=C1C(O2)=CC=C3 |