Abstract
The relationship between the electronic structure and odorant properties of organic compounds has been investigated. The conclusion previously drawn in [1] regarding the electronic-topological features characterizing the active portion of a molecule (the “ambergris triangle”) has been confirmed on the basis of quantum-chemical calculations. Possibilities for designing new compounds with an ambergris-type odor have been demonstrated with the aid of the prediction system devised.
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Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 22, No. 3, pp. 355–359, May–June, 1986.
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Gorbachev, M.Y., Dimoglo, A.S., Bersuker, I.B. et al. Role of electronic and structural factors in the origin of ambergris-type odors in cyclic compounds. Theor Exp Chem 22, 340–344 (1986). https://doi.org/10.1007/BF00521163
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DOI: https://doi.org/10.1007/BF00521163