Computational Evidence for Tunneling and a Hidden Intermediate in the Biosynthesis of Tetrahydrocannabinol.
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DOI: 10.1021/jacs.1c11981
Abstract: Quantum tunneling is computed for a reaction sequence that models the conversion of the ortho-quinone methide of cannabigerolic acid 1 to the decarboxylated product (-)-trans-Δ9-tetrahydrocannabinol (THC, 3). This calculation is the first to evaluate multidimensional… read more here.
Keywords: computational evidence; hidden intermediate; evidence tunneling; reaction ... See more keywords