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. 2014 Jul 21;77(8):1759–1763. doi: 10.1021/np400742p

Figure 2.

Figure 2

Four stereoisomers of 2 investigated in the present work: (a) 1R,3R,4aS,10aR (2A); (b) 1R,3S,4aS,10aR (2B); (c) 1S,3R,4aS,10aR (2C); and (d) 1S,3S,4aS,10aR (2D). The conformation shown for each case is the lowest energy optimized conformer at the B3LYP/6-31G(d)/PCM(DMSO) level with close intramolecular O–H···O=C bond.