Desaspidin

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Properties Simple | Detailed

Formula C24H30O8
IUPAC Name 2-butanoyl-4-[(3-butanoyl-2,4-dihydroxy-6-methoxy-phenyl)methyl]-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one
Molecular Mass 446.490 g·mol−1
Heat of Formation -1481.2 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 522.71 Å 3
Surface Area 433.97 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.43 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-cyclohexadien-1-one, 2-[[2,4-dihydroxy-6-methoxy-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-
  • 2-butanoyl-4-[(3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
  • 2-butyryl-4-(3-butyryl-2,4-dihydroxy-6-methoxy-benzyl)-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one
  • 3'-((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',6'-dihydroxy-4'-methoxybutyrophenone
  • 4-[[2,4-dihydroxy-6-methoxy-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(1-oxobutyl)-1-cyclohexa-2,4-dienone
  • butyrophenone, 3'-((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',6'-dihydroxy-4'-methoxy-
  • desapidin
  • desaspidin bb
  • rosapin
CAS Number(s)
  • 114-43-2
  • 60842-45-7
InChIKey XDIZFCKCCMUFFG-UHFFFAOYSA-N
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