[Application of 2D NMR techniques in the structure determination of chrysanthetriol]

Chrysanthemum indicum L. is a Chinese traditional drug used for antifebrile, detoxication and hypotensive purposes. In continuation of our efforts to search for the active principles of this species, a new sesquiterpene compound, named chrysanthetriol was isolated from the more polar fraction of the title plant. Chrysanthetriol is a colorless oil, [alpha]D20-31.8 degrees (c 0.3, MeOH). HRMS showed the molecular formula to be C15H26O3. The structure and stereochemistry of chrysanthtriol was elucidated as I by the use of 1H-1H COSY, 1H-13C COSY, 1H-13C COLOC 2D NMR spectroscopy.