| SpectraBase Compound ID | DpYzOZ8DM5S |
|---|---|
| InChI | InChI=1S/C19H22O8/c1-10(20)25-17(18(19(3,4)23)26-11(2)21)13-8-12-6-7-16(22)27-14(12)9-15(13)24-5/h6-9,17-18,23H,1-5H3 |
| InChIKey | OWTSKWMXSKZICB-UHFFFAOYSA-N |
| Mol Weight | 378.38 g/mol |
| Molecular Formula | C19H22O8 |
| Exact Mass | 378.131468 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DD3w7lcCVVG |
|---|---|
| Name | Citrusol, 2ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.131467660 u |
| Formula | C19H22O8 |
| InChI | InChI=1S/C19H22O8/c1-10(20)25-17(18(19(3,4)23)26-11(2)21)13-8-12-6-7-16(22)27-14(12)9-15(13)24-5/h6-9,17-18,23H,1-5H3 |
| InChIKey | OWTSKWMXSKZICB-UHFFFAOYSA-N |
| Molecular Weight | 378.377 g/mol |
| SMILES | C1(C=CC2=CC(=C(C=C2O1)OC)C(C(C(O)(C)C)OC(=O)C)OC(=O)C)=O |