| SpectraBase Compound ID | IoRLZIhSzaU |
|---|---|
| InChI | InChI=1S/C20H16O7/c1-11(21)25-16-7-5-4-6-14(16)17-10-15(23)20-18(26-12(2)22)8-13(24-3)9-19(20)27-17/h4-10H,1-3H3 |
| InChIKey | CKQDNPJWAVONSS-UHFFFAOYSA-N |
| Mol Weight | 368.34 g/mol |
| Molecular Formula | C20H16O7 |
| Exact Mass | 368.089603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4r6FJ3iWPws |
|---|---|
| Name | Echioidinin, 2ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.089602848 u |
| Formula | C20H16O7 |
| InChI | InChI=1S/C20H16O7/c1-11(21)25-16-7-5-4-6-14(16)17-10-15(23)20-18(26-12(2)22)8-13(24-3)9-19(20)27-17/h4-10H,1-3H3 |
| InChIKey | CKQDNPJWAVONSS-UHFFFAOYSA-N |
| Molecular Weight | 368.341 g/mol |
| SMILES | C(C)(=O)OC1=C(C=CC=C1)C1=CC(C2=C(C=C(C=C2O1)OC)OC(=O)C)=O |