Lupulone

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Properties Simple | Detailed

Formula C26H38O4
IUPAC Name 3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
Molecular Mass 414.578 g·mol−1
Heat of Formation -809.2 ± 16.7 kJ·mol−1
Dipole Moment 6.72 ± 1.08 D
Volume 559.05 Å 3
Surface Area 408.13 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-cyclohexadien-1-one, 3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-
  • 2,4-cyclohexadien-1-one, 3,5-dihydroxy-4-isovaleryl-2,6,6-tris(3-methyl-2-butenyl)-
  • 3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one
  • 3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methylbutyryl)-2,4-cyclohexadienone
  • 3,5-dihydroxy-2,6,6-tris(3-methylbuten-2-yl)-4-(3-methyl-1-oxobutyl)cyclohexa-2,4-dien-1-one
  • 3,5-dihydroxy-2-isovaleryl-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
  • 3,5-dihydroxy-4,6,6-tris(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)-1-cyclohexa-2,4-dienone
  • b'' -acid
  • beta-bitter acid
  • beta-lupulic acid
  • lupulon
CAS Number(s)
  • 468-28-0
InChIKey LSDULPZJLTZEFD-UHFFFAOYSA-N
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