| SpectraBase Compound ID | FtfLjbIjbxh |
|---|---|
| InChI | InChI=1S/C17H22O5/c1-17(2,21-5)14(20-4)10-12-13(19-3)8-6-11-7-9-15(18)22-16(11)12/h6-9,14H,10H2,1-5H3 |
| InChIKey | KLCSWYWPTNBOLA-UHFFFAOYSA-N |
| Mol Weight | 306.36 g/mol |
| Molecular Formula | C17H22O5 |
| Exact Mass | 306.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ubdjlNaFzI |
|---|---|
| Name | Yuehgesin B, me derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.146723803 u |
| Formula | C17H22O5 |
| InChI | InChI=1S/C17H22O5/c1-17(2,21-5)14(20-4)10-12-13(19-3)8-6-11-7-9-15(18)22-16(11)12/h6-9,14H,10H2,1-5H3 |
| InChIKey | KLCSWYWPTNBOLA-UHFFFAOYSA-N |
| Molecular Weight | 306.358 g/mol |
| SMILES | C1(C=CC2=CC=C(C(=C2O1)CC(C(C)(C)OC)OC)OC)=O |