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

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Properties Simple | Detailed

Formula C26H30O5
IUPAC Name (2,4-dihydroxy-6-methoxy-phenyl)-[(1r,2s,6r)-6-(4-hydroxyphenyl)-3-methyl-2-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]methanone
Molecular Mass 422.513 g·mol−1
Heat of Formation -763.3 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 519.7 Å 3
Surface Area 411.07 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • methanone, (2,4-dihydroxy-6-methoxyphenyl)[(1r,2s,6r)-6-(4-hydroxyphenyl)-3-methyl-2-(3-methyl-2-butenyl)-3-cyclohexen-1-yl]-
  • panduratin c
InChIKey UDUSGBMXZRNBJM-ZFGGDYGUSA-N
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Elements H C O