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Mehak Rohilla, Neetu Goel, Tej Vir Singh, P. Venugopalan, N. V. Suresh Kumar and K. Tewari Theoretical and experimental studies on solubility and reactivity behavior of lysergol, elymoclavine, and dihydrolysergol International Journal of Quantum Chemistry 113

Version of Record online: 10 OCT 2012 | DOI: 10.1002/qua.24335

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The ergot alkaloids are pharmacologically important indole derivatives used for treating a wide range of human maladies. Density functional theory is used to understand the relative solubility/reactivity of these compounds. Theoretically calculated NMR data provides a valuable help to synthetic chemists to validate the success of their reaction.

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