Structure Revision of Decurrensides A-E Enabled by the RFF Parametric Calculations of Proton Spin-Spin Coupling Constants.
نویسنده
چکیده
Structure revision of the recently characterized natural products, decurrensides A-E, is described. The revision is aided by fast and accurate computations of proton spin-spin coupling constants. While the (13)C chemical shifts calculations could reveal the misassignment of the original structures, the calculated spin coupling constants possess much higher structural information content, informing and guiding the process of structure reassignment. Together, calculations of (13)C chemical shifts and spin coupling constants constitute a robust and now practical structure discovery tool.
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ورودعنوان ژورنال:
- The Journal of organic chemistry
دوره 81 18 شماره
صفحات -
تاریخ انتشار 2016