Coumarin, 5,7-Dihydroxy-8-Isovaleryl-6-(3-Methyl-2-Butenyl)-4-Propyl-

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Properties Simple | Detailed

Formula C22H28O5
IUPAC Name 5,7-dihydroxy-8-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)-4-propyl-chromen-2-one
Molecular Mass 372.455 g·mol−1
Heat of Formation -908.3 ± 16.7 kJ·mol−1
Dipole Moment 10.41 ± 1.08 D
Volume 460.63 Å 3
Surface Area 389.79 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 5,7-dihydroxy-6-(3-methyl-2-butenyl)-8-(3-methyl-1-oxobutyl)-4-propyl-
  • 4-n-propyl-5,7-dihydroxy-6-isopentenyl-8-isovalerylcoumarin
  • 5,7-dihydroxy-6-(3-methyl-2-butenyl)-8-(3-methyl-1-oxobutyl)-4-propyl-2h-1-benzopyran-2-one
  • 5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methyl-1-oxobutyl)-4-propyl-2-chromenone
  • 5,7-dihydroxy-8-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)-4-propylchromen-2-one
  • 5,7-dihydroxy-8-isovaleryl-6-(3-methylbut-2-enyl)-4-propyl-coumarin
  • mammea b/ba
  • mammein
CAS Number(s)
  • 521-38-0
InChIKey LYJWLIYDNZREPC-UHFFFAOYSA-N
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