5,7-Dihydroxy-6-(3-Methylbutanoyl)-8-(3-Methyl-2-Buten-1-Yl)-4-Phenyl-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C25H27O5+
IUPAC Name 5,7-dihydroxy-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-phenyl-chromen-2-one
Molecular Mass 407.479 g·mol−1
Heat of Formation -755.6 ± 16.7 kJ·mol−1
Dipole Moment 6.85 ± 1.08 D
Volume 486.66 Å 3
Surface Area 403.38 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 5,7-dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methyl-1-oxobutyl)-4-phenyl-
  • 5,7-dihydroxy-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-phenylchromen-2-one
  • 5,7-dihydroxy-6-isovaleryl-8-(3-methylbut-2-enyl)-4-phenyl-coumarin
  • 5,7-dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methyl-1-oxobutyl)-4-phenyl-2h-1-benzopyran-2-one
  • 5,7-dihydroxy-8-(3-methylbut-2-enyl)-6-(3-methyl-1-oxobutyl)-4-phenyl-2-chromenone
  • mammeisin
CAS Number(s)
  • 18483-64-2
InChIKey JIFOADIANOIMSK-UHFFFAOYSA-N
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