| SpectraBase Compound ID | G8190TXyhZX |
|---|---|
| InChI | InChI=1S/C18H22O6/c1-11(19)23-15(18(2,3)22-5)10-13-14(21-4)8-6-12-7-9-16(20)24-17(12)13/h6-9,15H,10H2,1-5H3 |
| InChIKey | SJKCGJUTYBDPJE-UHFFFAOYSA-N |
| Mol Weight | 334.37 g/mol |
| Molecular Formula | C18H22O6 |
| Exact Mass | 334.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FOqX8bxa7wh |
|---|---|
| Name | Yuehgesin B, ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.141638422 u |
| Formula | C18H22O6 |
| InChI | InChI=1S/C18H22O6/c1-11(19)23-15(18(2,3)22-5)10-13-14(21-4)8-6-12-7-9-16(20)24-17(12)13/h6-9,15H,10H2,1-5H3 |
| InChIKey | SJKCGJUTYBDPJE-UHFFFAOYSA-N |
| Molecular Weight | 334.368 g/mol |
| SMILES | C1(C=CC2=CC=C(C(=C2O1)CC(C(C)(C)OC)OC(=O)C)OC)=O |