(2,6-Dihydroxy-4-Methoxyphenyl)[(1R,2S,6R)-3-Methyl-2-(3-Methyl-2-Buten-1-Yl)-6-Phenyl-3-Cyclohexen-1-Yl]Methanone

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Properties Simple | Detailed

Formula C26H30O4
IUPAC Name (2,6-dihydroxy-4-methoxy-phenyl)-[(1r,2s,6r)-3-methyl-2-(3-methylbut-2-enyl)-6-phenyl-cyclohex-3-en-1-yl]methanone
Molecular Mass 406.514 g·mol−1
Heat of Formation -594.7 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 503.71 Å 3
Surface Area 387.34 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • methanone, (2,6-dihydroxy-4-methoxyphenyl)[(1r,2s,6r)-3-methyl-2-(3-methyl-2-butenyl)-6-phenyl-3-cyclohexen-1-yl]-
  • panduratin a
InChIKey LYDZCXVWCFJAKQ-ZFGGDYGUSA-N
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Elements H C O