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Myrrhain A: Structural Reassignment Highlights the Relevance of Plasticizer Contamination in Chemical and Bioactivity
Roderick W Bates1, Mikhail Elyashberg2, Sopan Pralhad Khandare1
1School of Chemistry, Chemical Engineering and Biotechnology, Nanyang Technological University, 21 Nanyang Link, Singapore 637371.
None:
The proposed structure for myrrhain A, containing an unlikely 1,2-di-t-butylbenzofuran substitution pattern, was reassigned as a known plasticizer by direct spectroscopic comparison and Computer Assisted Structure Elucidation (CASE). Concerningly, plasticizers and their precursors, degradation and/or oxidation products, arising from environmental or laboratory contamination, continue to be misconstrued as natural products.
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