| SpectraBase Compound ID | 1wYlZyQWBo7 |
|---|---|
| InChI | InChI=1S/C22H22O9/c1-11(23)30-18-17-13(24)10-15(12-7-8-14(25-2)16(9-12)26-3)31-19(17)21(28-5)22(29-6)20(18)27-4/h7-10H,1-6H3 |
| InChIKey | ZFTUOHSQCFTPMT-UHFFFAOYSA-N |
| Mol Weight | 430.41 g/mol |
| Molecular Formula | C22H22O9 |
| Exact Mass | 430.126382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JzHdMVL9Rf8 |
|---|---|
| Name | 5-o-Demethylnobiletin, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.126382279 u |
| Formula | C22H22O9 |
| InChI | InChI=1S/C22H22O9/c1-11(23)30-18-17-13(24)10-15(12-7-8-14(25-2)16(9-12)26-3)31-19(17)21(28-5)22(29-6)20(18)27-4/h7-10H,1-6H3 |
| InChIKey | ZFTUOHSQCFTPMT-UHFFFAOYSA-N |
| Molecular Weight | 430.409 g/mol |
| SMILES | C1(=C(C(=C2C(C=C(OC2=C1OC)C1=CC=C(C(=C1)OC)OC)=O)OC(=O)C)OC)OC |