1-[3-[(6-acetyl-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone
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1-[3-[(6-acetyl-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone
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CAS No:
126026-32-2
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Formula:
C24H28O9
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Chemical Name:
1-[3-[(6-acetyl-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone
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Synonyms:
6-acetyl-5,7-dihydroxy-8-(3-acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)-2,2-dimethyl-3-hydroxychroman;isomallotochromanol;Isomallotochromanol;126026-32-2;CHEMBL523152;XBXKUYYCBXJGEN-UHFFFAOYSA-;DTXSID60925381;1-[3-[(6-acetyl-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone;6-Acetyl-5,7-dihydroxy-8-(3-acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)-2,2-dimethyl-3-hydroxychroman;A808703;1-[3-[(6-acetyl-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-8-yl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone;1-[3-[[6-ethanoyl-2,2-dimethyl-3,5,7-tris(oxidanyl)-3,4-dihydrochromen-8-yl]methyl]-4-methoxy-5-methyl-2,6-bis(oxidanyl)phenyl]ethanone;1-{8-[(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl}ethan-1-one;Ethanone, 1-(3-((6-acetyl-3,4-dihydro-3,5,7-trihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)methyl)-2,6-dihydroxy-4-methoxy-5-methylphenyl)-
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CAS No:
1-[3-[(6-acetyl-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone Basic Attributes
460.5 g/mol
460.17333247 g/mol
Drug Information
6-acetyl-5,7-dihydroxy-8-(3-acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)-2,2-dimethyl-3-hydroxychroman
Computed Properties
Molecular Weight:460.5
XLogP3:3.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:460.17333247
Monoisotopic Mass:460.17333247
Topological Polar Surface Area:154
Heavy Atom Count:33
Complexity:739
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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