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Conformational calculations on sandalwood odour molecules II. 1 Force field investigations on β‐santalol
Author(s) -
Beyer Anton,
Wolschann Peter,
Becker Armin,
Buchbauer Gerhard,
Winiwarter Susanne
Publication year - 1988
Publication title -
flavour and fragrance journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.393
H-Index - 70
eISSN - 1099-1026
pISSN - 0882-5734
DOI - 10.1002/ffj.2730030408
Subject(s) - sandalwood , chemistry , molecular mechanics , molecule , stereochemistry , computational chemistry , molecular conformation , force field (fiction) , organic chemistry , traditional medicine , medicine , artificial intelligence , computer science
The conformations of β‐santalol have been investigated by molecular mechanics and AMI. The comparison with two more rigid molecules of the same biological activity—a typical sandalwood odour—shows a common structural element for all three compounds. A bulky aliphatic centre is bound to a relatively flat molecule part to which an exposed hydroxyl group is connected at the other end.