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Phytochemical Study of Senecio volckmannii Assisted by CASE-3D with Residual Dipolar Couplings and Isotropic H/C NMR Chemical Shifts.

J Nat Prod

November 2018

Facultad de Ciencias Químicas, Instituto Multidisciplinario de Biología Vegetal (IMBIV-CONICET) , Universidad Nacional de Córdoba , Casilla de Correo 495 , 5000 Córdoba , Argentina.

Article Synopsis
  • Nine new eremophilanolides and seven known sesquiterpenoids, along with 4-hydroxyacetophenone, were extracted from Senecio volckmannii var. volckmannii.
  • The structures of these compounds were determined using spectroscopic methods like NMR and mass spectrometry.
  • The CASE-3D protocol was utilized for in-depth analysis of the eremophilanolides' configurations based on Residual Dipolar Couplings and predicted chemical shifts.
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