Mallotochromene

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Properties Simple | Detailed

Formula C24H26O8
IUPAC Name 1-[3-[(8-acetyl-5,7-dihydroxy-2,2-dimethyl-chromen-6-yl)methyl]-2,6-dihydroxy-4-methoxy-5-methyl-phenyl]ethanone
Molecular Mass 442.458 g·mol−1
Heat of Formation -1397.7 ± 16.7 kJ·mol−1
Dipole Moment 6.90 ± 1.08 D
Volume 497.32 Å 3
Surface Area 411.54 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[6-(3-acetyl-2,4-dihydroxy-6-methoxy-5-methyl-benzyl)-5,7-dihydroxy-2,2-dimethyl-chromen-8-yl]ethanone
  • 1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methyl-phenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-chromen-8-yl]ethanone
  • 1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-8-chromenyl]ethanone
  • 1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]ethanone
  • 1-[6-[(3-ethanoyl-2,4-dihydroxy-6-methoxy-5-methyl-phenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-chromen-8-yl]ethanone
  • 8-acetyl-5,7-dihydroxy-6-(3-acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)-2,2-dimethylchromene
  • ethanone, 1-(3-((8-acetyl-5,7-dihydroxy-2,2-dimethyl-2h-1-benzopyran-6-yl)methyl)-2,6-dihydroxy-4-methoxy-5-methylphenyl)-
CAS Number(s)
  • 98569-62-1
InChIKey DIXWVWLWNGDQEC-UHFFFAOYSA-N
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