(1R,5S,6R,7S)-5-Isobutyryl-6-Methyl-1,3,7-Tris(3-Methyl-2-Buten-1-Yl)-6-(4-Methyl-3-Penten-1-Yl)-4,9-Dioxobicyclo[3.3.1]Non-2-En-2-Yl Acetate

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Properties Simple | Detailed

Formula C37H54O5
IUPAC Name [(1r,5s,6r,7s)-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)-4,9-dioxo-2-bicyclo[3.3.1]non-2-enyl] acetate
Molecular Mass 578.822 g·mol−1
Heat of Formation -690.3 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 773.76 Å 3
Surface Area 547.87 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 2.95 ± eV
Point Group Symmetry C1
InChIKey JZPNZEVHKFXJKG-NVGSILRDSA-N
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