1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]butan-1-one
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![1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]butan-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e9d753ee67c649b09b8b9a76d8f4dc06.png "1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]butan-1-one")
1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]butan-1-one
structure -
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CAS No:
129399-52-6
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Formula:
C26H32O9
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Chemical Name:
1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]butan-1-one
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Synonyms:
butyrylmallotochromanol;129399-52-6;CHEMBL465309;DTXSID20926394;1-(6-((3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl)-3,5,7-trihydroxy-2,2-dimethylchroman-8-yl)butan-1-one;1-{6-[(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-8-yl}butan-1-one;8-Butyryl-6-(3-acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3,5,7-triol
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CAS No:
1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]butan-1-one Basic Attributes
488.5 g/mol
488.20463259 g/mol
Computed Properties
Molecular Weight:488.5
XLogP3:4.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:488.20463259
Monoisotopic Mass:488.20463259
Topological Polar Surface Area:154
Heavy Atom Count:35
Complexity:770
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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