TY - JOUR
T1 - Absolute configuration and 1H NMR characterization of rosmaridiphenol diacetate
AU - Muñoz, Marcelo A.
AU - Perez-Hernandez, Nury
AU - Pertino, Mariano W.
AU - Schmeda-Hirschmann, Guillermo
AU - Joseph-Nathan, Pedro
PY - 2012/4/27
Y1 - 2012/4/27
N2 - The correction of patented structure 1 of rosmaridiphenol, an antioxidant isolated from rosemary, Rosmarinus officinalis, was made recently. The correct structure is proposed as 11,12-dihydroxy-8,11,13-icetexatrien-1-one (2a) based on 2D NMR data. In order to further support the structure, this work reports the single-crystal X-ray analysis, the complete 1H NMR assignment by full spin-spin simulation, and the absolute configuration of the diacetate 2b derived via vibrational circular dicroism measurements in comparison with density functional theory calculated data.
AB - The correction of patented structure 1 of rosmaridiphenol, an antioxidant isolated from rosemary, Rosmarinus officinalis, was made recently. The correct structure is proposed as 11,12-dihydroxy-8,11,13-icetexatrien-1-one (2a) based on 2D NMR data. In order to further support the structure, this work reports the single-crystal X-ray analysis, the complete 1H NMR assignment by full spin-spin simulation, and the absolute configuration of the diacetate 2b derived via vibrational circular dicroism measurements in comparison with density functional theory calculated data.
UR - http://www.scopus.com/inward/record.url?scp=84860326242&partnerID=8YFLogxK
U2 - 10.1021/np200951y
DO - 10.1021/np200951y
M3 - Artículo
SN - 0163-3864
VL - 75
SP - 779
EP - 783
JO - Journal of Natural Products
JF - Journal of Natural Products
IS - 4
ER -