| SpectraBase Compound ID | JrlQV4BRZz6 |
|---|---|
| InChI | InChI=1S/C20H20O6/c1-12(15-5-7-16(24-4)8-6-15)20(23)18-10-9-17(25-13(2)21)11-19(18)26-14(3)22/h5-12H,1-4H3 |
| InChIKey | HWMCYZMPZSIVSE-UHFFFAOYSA-N |
| Mol Weight | 356.37 g/mol |
| Molecular Formula | C20H20O6 |
| Exact Mass | 356.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9g5Iu6llsOv |
|---|---|
| Name | Angolensin, 2ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.125988358 u |
| Formula | C20H20O6 |
| InChI | InChI=1S/C20H20O6/c1-12(15-5-7-16(24-4)8-6-15)20(23)18-10-9-17(25-13(2)21)11-19(18)26-14(3)22/h5-12H,1-4H3 |
| InChIKey | HWMCYZMPZSIVSE-UHFFFAOYSA-N |
| Molecular Weight | 356.374 g/mol |
| SMILES | C1=C(C=CC(=C1)C(C(=O)C1=CC=C(C=C1OC(C)=O)OC(=O)C)C)OC |