Hyperatomarin

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Properties Simple | Detailed

Formula C25H36O4
IUPAC Name (1r,5r,6s,7r)-2-hydroxy-6-methyl-7-(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-3-(2-methylpropanoyl)bicyclo[3.3.1]non-2-ene-4,9-dione
Molecular Mass 400.551 g·mol−1
Heat of Formation -781.9 ± 16.7 kJ·mol−1
Dipole Moment 6.84 ± 1.08 D
Volume 526.01 Å 3
Surface Area 414.72 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,5r,7r,8s)-4-hydroxy-3-isobutyryl-8-methyl-7-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-quinone
  • (1r,5r,7r,8s)-4-hydroxy-8-methyl-7-(3-methylbut-2-enyl)-3-(2-methyl-1-oxopropyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione
InChIKey BIDDBOYBPSUMIT-QNRRCFITSA-N
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