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| IUPAC Name: | 3-(3,5-ditert-butyl-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)propanoic acid |
| Description: | 3,5-Bis(1,1-dimethylethyl)-1-hydroxy-4-oxo-2,5-cyclohexadiene-1-propanoic Acid is a compound that can be synthesized from 3,5-Di-tert-butyl-4-hydroxyphenylpropionic Acid (D417555), which acts as a new oxazole-pyrone antimicrobial agent. |
| Molecular Weight: | 294.39 |
| Molecular Formula: | C17H26O4 |
| Canonical SMILES: | CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)(CCC(=O)O)O |
| InChI: | InChI=1S/C17H26O4/c1-15(2,3)11-9-17(21,8-7-13(18)19)10-12(14(11)20)16(4,5)6/h9-10,21H,7-8H2,1-6H3,(H,18,19) |
| InChI Key: | WOTFHQUHCWABLM-UHFFFAOYSA-N |
| Melting Point: | 125 - 127°C |
| Solubility: | Chloroform (Slightly), DMSO (Slightly) |
| Appearance: | White to Off-White Solid |
| Storage: | -20°C, Light sensitive |
| References: | Kunze, B. et al. J. Antibiot., 45, 1549 (1992); Yashuharu, I. et al. Tetrahedron Lett., 37, 2997 (1996). |
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