INVESTIGADORES
GARCIA Manuela Emilia
artículos
Título:
Phytochemical Study of Senecio volckmannii Assisted by CASE-3D with Residual Dipolar Couplings and Isotropic 1H/13C NMR Chemical Shifts
Autor/es:
CASTRO, SEBASTIÁN J.; GARCÍA, MANUELA E.*; PADRÓN, JOSÉ M.; NAVARRO-VÁZQUEZ, ARMANDO; GIL, ROBERTO R.*; NICOTRA, VIVIANA E.*
Revista:
JOURNAL OF NATURAL PRODUCTS
Editorial:
AMER CHEMICAL SOC
Referencias:
Año: 2018 vol. 81 p. 2329 - 2337
ISSN:
0163-3864
Resumen:
Nine new eremophilanolides, with seven known sesquiterpenoids, and 4-hydroxyacetophenone were isolated from the aerial parts of Senecio volckmannii var. volckmannii. The structures of these compounds were fully characterized using a combination of spectroscopic techniques including multinuclear and multidimensional NMR and mass spectrometry. The recently published Computer Assisted 3D Structure Elucidation (CASE-3D) protocol was applied in the configurational and conformational analysis of many of these eremophilanolides on the basis of Residual Dipolar Couplings (RDCs) and/or DFT predicted 1H/13C chemical shifts.
