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| IUPAC Name: | 3-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]butan-1-one |
| Description: | Deoxyhumulone is an intermediate in the synthesis of Isohumulone (I790420), a chemical compound that contributes to the bitter taste of beer. It belongs to a class of compound known as the Iso-alpha acids found in the hops. |
| Molecular Weight: | 346.47 |
| Molecular Formula: | C21H30O4 |
| Canonical SMILES: | CC(C)CC(=O)C1=C(C(=C(C(=C1O)CC=C(C)C)O)CC=C(C)C)O |
| InChI: | InChI=1S/C21H30O4/c1-12(2)7-9-15-19(23)16(10-8-13(3)4)21(25)18(20(15)24)17(22)11-14(5)6/h7-8,14,23-25H,9-11H2,1-6H3 |
| InChI Key: | NQYBQBZOHCACCR-UHFFFAOYSA-N |
| Melting Point: | 83 °C |
| Solubility: | 0.004499 mg/l at 25 °C (est) |
| Appearance: | Solid |
| References: | Hahn, C. D. J. Agric. Food Chem., 66, 3505 (2018). |
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