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Home > Encyclopedia > 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

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

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 structure

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 

structure
  • CAS No:

    126026-32-2

  • Formula:

    C24H28O9

  • 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

  • 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)-

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

Characteristics

154 Ų

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

Guide of 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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