Empirical force field calculations on sandalwood odor molecules

摘要: Abstract The conformations of dihydro-β-santalol, a sandalwood odor molecule, have been investigated by molecular mechanics calculations. molecule consists rigid norbornane system and flexible side chain. Most the energetic favorable result from two distinct methylene group bound to bicyclic anti conformation adjacent alkyl substituents. intramolecular distances which proposed for olfactory activity, determined lower energy are populated at room temperature, following Boltzmann distribution.