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

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Properties Simple | Detailed

Formula C25H28O4
IUPAC Name [(1r,2s,6r)-3-methyl-2-(3-methylbut-2-enyl)-6-phenyl-cyclohex-3-en-1-yl]-(2,4,6-trihydroxyphenyl)methanone
Molecular Mass 392.487 g·mol−1
Heat of Formation -570.0 ± 16.7 kJ·mol−1
Dipole Moment 2.38 ± 1.08 D
Volume 487.68 Å 3
Surface Area 396.17 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-(2,4,6-trihydroxyphenyl)[3'-methyl-2'-(3''-methylbut-2''-enyl)-6'-phenylcyclohex-3'-enyl]methanone
  • (-)-hydroxypanduratin a
  • [(1r,2s,6r)-3-methyl-2-(3-methylbut-2-enyl)-6-phenyl-1-cyclohex-3-enyl]-(2,4,6-trihydroxyphenyl)methanone
  • [3-methyl-2-(3-methyl-but-2-enyl)-6-phenyl-cyclohex-3-enyl]-(2,4,6-trihydroxy-phenyl)-methanone
  • hydroxypanduratin a
  • methanone, [(1r,2s,6r)-3-methyl-2-(3-methyl-2-butenyl)-6-phenyl-3-cyclohexen-1-yl](2,4,6-trihydroxyphenyl)-
InChIKey AYPOOQWQTQIRFW-ZRCGQRJVSA-N
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