期刊
HETEROCYCLES
卷 85, 期 8, 页码 1961-1973出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.3987/COM-12-12514
关键词
Absolute Configuration; Vibrational Circular Dichroism; Taondiol Diacetate; Epitaondiol Diacetate; Meroditerpenoid
资金
- CONACyT-Mexico [152994]
The absolute configuration of alga meroditerpenoids (-)-taondiol diacetate (1b) and (+)-epitaondiol diacetate (2c) are assigned by vibrational circular clichroism (VCD). The spectra of (2S,35,6R,7R,10R,11R,14S)-1b and (2S,3S,6S,7S,10R,11R,14s)-2c enantiomers, calculated at the B3LYP/DGDZVP and at the B3LYP/DGDZVP2 levels of theory, respectively, matched confidently with the experimental ones. The numerical approach using neighborhood similarity indexes in the CompareVOA algorithm software supports the assignments with 100% confidence. The X-ray diffraction structures of 1b and 2c were determined to verify their relative stereochemistry and the crystal stereostructure of the meroditerpenoid stypotriol triacetate (5) is also reported.
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