| SpectraBase Compound ID | IOgEm2AgBin |
|---|---|
| InChI | InChI=1S/C22H20O9/c1-11(23)29-18-17-15(25)10-16(13-6-8-14(26-3)9-7-13)31-19(17)21(28-5)22(20(18)27-4)30-12(2)24/h6-10H,1-5H3 |
| InChIKey | KGCZCIUUZQHJAX-UHFFFAOYSA-N |
| Mol Weight | 428.39 g/mol |
| Molecular Formula | C22H20O9 |
| Exact Mass | 428.110732 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPf6olKUZqs |
|---|---|
| Name | Nevadensin, 2ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.110732215 u |
| Formula | C22H20O9 |
| InChI | InChI=1S/C22H20O9/c1-11(23)29-18-17-15(25)10-16(13-6-8-14(26-3)9-7-13)31-19(17)21(28-5)22(20(18)27-4)30-12(2)24/h6-10H,1-5H3 |
| InChIKey | KGCZCIUUZQHJAX-UHFFFAOYSA-N |
| Molecular Weight | 428.393 g/mol |
| SMILES | CC(=O)OC1=C2C(=O)C=C(C3=CC=C(OC)C=C3)OC2=C(OC)C(OC(C)=O)=C1OC |