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CAS 116979-51-2

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1-[6-[(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl]-1-butanone

Description:
1-[6-[(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl]-1-butanone, with CAS number 116979-51-2, is a complex organic compound characterized by its multi-functional structure, which includes a benzopyran moiety and various hydroxyl and acetyl groups. This compound exhibits properties typical of flavonoids, such as antioxidant activity, due to the presence of multiple hydroxyl groups that can donate hydrogen atoms to free radicals. The methoxy and acetyl substituents contribute to its lipophilicity, potentially enhancing its bioavailability. Its structural complexity suggests potential applications in pharmaceuticals, particularly in the development of therapeutic agents targeting oxidative stress-related conditions. The compound's solubility, stability, and reactivity can be influenced by its functional groups, making it a subject of interest in medicinal chemistry and natural product research. Further studies would be necessary to elucidate its specific biological activities and mechanisms of action.
Formula:C26H30O8
InChI:InChI=1S/C26H30O8/c1-7-8-17(28)19-22(31)15(21(30)14-9-10-26(4,5)34-25(14)19)11-16-23(32)18(13(3)27)20(29)12(2)24(16)33-6/h9-10,29-32H,7-8,11H2,1-6H3
InChI key:InChIKey=KQDGTUWOPKXJII-UHFFFAOYSA-N
SMILES:OC1=C2C(=C(C(CCC)=O)C(O)=C1CC3=C(OC)C(C)=C(O)C(C(C)=O)=C3O)OC(C)(C)C=C2
Synonyms:
  • 1-Butanone, 1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl]-
  • 1-[6-[(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl]-1-butanone
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