Chemical reactivity of vescalagin and castalagin

Molecular-mechanics calculations performed using Macromodel (MM3 force field) indicated that the minimum-energy conformer of castalagin (35, 501.6 kJ moP ) was slightly more stable than that of 34 (504.5 kJ moP ) (Quideau et al, 2004). Admittedly, 

23 Thermal transformation of castalagin and vescalagin into dehydrocastalagin and deoxyvescalagin, respectively. 

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