| SpectraBase Compound ID | CokTCq17cJa |
|---|---|
| InChI | InChI=1S/C20H16O7/c1-11(21)26-14-6-4-13(5-7-14)16-10-25-18-9-15(27-12(2)22)8-17(24-3)19(18)20(16)23/h4-10H,1-3H3 |
| InChIKey | BTDZTSQJLRJDTG-UHFFFAOYSA-N |
| Mol Weight | 368.34 g/mol |
| Molecular Formula | C20H16O7 |
| Exact Mass | 368.089603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fiu2G3dHfRg |
|---|---|
| Name | 5-o-Methylgenistein diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.089602848 u |
| Formula | C20H16O7 |
| InChI | InChI=1S/C20H16O7/c1-11(21)26-14-6-4-13(5-7-14)16-10-25-18-9-15(27-12(2)22)8-17(24-3)19(18)20(16)23/h4-10H,1-3H3 |
| InChIKey | BTDZTSQJLRJDTG-UHFFFAOYSA-N |
| Molecular Weight | 368.341 g/mol |
| SMILES | C12=C(C=C(C=C2OC)OC(=O)C)OC=C(C1=O)C1=CC=C(OC(=O)C)C=C1 |