Abstract:We report the determination
of the absolute configuration of a
diterpenoid, namely, ballonigrin lactone A (BLA), by comparison of
the computed optical rotations, [α]D, of its two
diastereomers using density functional theory (DFT) calculations to
the experimental [α]D value of +22.4. One of the
diastereomers having configurations 4S, 5R, 6S, 10S, 15S was named
“α-BLA,” and the other one with configuration
4S, 5R, 6S, 10S, 15R was called “β-BLA”. Six conformers
for each diastereomer (α-BLA and β-BLA) of BLA wer… Show more
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