6-(2,5-Dihydroxy-3-Methylphenyl)-1-(2,4-Dihydroxy-6,7,9,9-Tetramethylbicyclo(4.2.1)Nona-2,4-Dien-7-Yl)-4-Methyl-4-Hexen-2-One

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Properties Simple | Detailed

Formula C27H36O5
IUPAC Name (e)-6-(2,5-dihydroxy-3-methyl-phenyl)-1-[(1r,6s,7r)-2,4-dihydroxy-6,7,9,9-tetramethyl-7-bicyclo[4.2.1]nona-2,4-dienyl]-4-methyl-hex-4-en-2-one
Molecular Mass 440.572 g·mol−1
Heat of Formation -894.8 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 554.3 Å 3
Surface Area 432.21 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-6-(2,5-dihydroxy-3-methyl-phenyl)-1-[(1s,6r,8r)-3,5-dihydroxy-1,8,9,9-tetramethyl-8-bicyclo[4.2.1]nona-2,4-dienyl]-4-methyl-hex-4-en-2-one
  • (e)-6-(2,5-dihydroxy-3-methylphenyl)-1-[(1s,6r,8r)-3,5-dihydroxy-1,8,9,9-tetramethyl-8-bicyclo[4.2.1]nona-2,4-dienyl]-4-methylhex-4-en-2-one
  • 4-hexen-2-one, 6-(2,5-dihydroxy-3-methylphenyl)-1-(2,4-dihydroxy-6,7,9,9-tetramethylbicyclo(4.2.1)nona-2,4-dien-7-yl)-4-methyl-
  • mediterraneol a
CAS Number(s)
  • 97730-98-8
InChIKey NOCISAZINLIHQQ-SYBXDPBWSA-N
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