OK, if you don’t know it by now Antony J. Williams, M.E. Elyashberg, and Gary E. Martin are publication writing machines.
On the Chemspider Blog, Tony points us to their latest publication (reportedly 2 years in the making) that is in press entitled, "Computer-assisted Structure Verification and Elucidation Tools In
NMR-Based Structure Elucidation (Reference: JPNMRS1239)" to be published in Progress in
Nuclear Magnetic Resonance Spectroscopy.
In the very same post, Tony discusses the hexacyclinol controversy. If you haven’t heard about this, you can catch up via the following resources (including some great blogs!):
Now that you are caught up, the news from ACD/Labs is that they we have worked with John Porco’s group (the group that actually synthesized the alternative structure). The work involves using ACD/Structure Elucidator to generate the correct assignments for the molecule.
Surprise, surprise Tony is promising a publication outlining this work. Head over to the Chemspider Blog to read the abstract for this publication presently being submitted as well as a schematic of the final 1H NMR assignments.
Keep those publications coming guys!