Conformational Analysis in 18-Membered Macrolactones Based on Molecular Modeling

Table 2

Energetic difference and Boltzmann population of different conformational types of complexed macrocycles.

Macrolactone	18 symmetric (𝑛1=𝑛2=5)			18 dissymmetric (𝑛1=4, 𝑛2=6)
	Type	Δ𝐸	%	Type	Δ𝐸	%
	1	0.00	28.5	8	0.00	50.1
to 1 kcal/mol	8	0.30	26.5
	7	0.54	25.1
	2	1.47	19.9	7	4.04	18.8
Sup to1 kcal/mol				1	4.30	17.6
				2	5.39	13.5