TY - JOUR
T1 - Complete 1H NMR assignment of cedranolides
AU - Perez-Hernandez, Nury
AU - Gordillo-Roman, Barbara
AU - Arrieta-Baez, Daniel
AU - Cerda-Garcia-Rojas, Carlos M.
AU - Joseph-Nathan, Pedro
N1 - Publisher Copyright:
Copyright © 2015 John Wiley & Sons, Ltd.
PY - 2017/3/1
Y1 - 2017/3/1
N2 - Complete and unambiguous 1H NMR chemical shift assignment of α-cedrene (2) and cedrol (9), as well as for α-pipitzol (1), isocedrol (10), and the six related compounds 3–8 has been established by iterative full spin analysis using the PERCH NMR software (PERCH Solutions Ltd., Kuopio, Finland). The total sets of coupling constants are described and correlated with the conformational equilibria of the five-membered ring of 1–10, which were calculated using the complete basis set method.
AB - Complete and unambiguous 1H NMR chemical shift assignment of α-cedrene (2) and cedrol (9), as well as for α-pipitzol (1), isocedrol (10), and the six related compounds 3–8 has been established by iterative full spin analysis using the PERCH NMR software (PERCH Solutions Ltd., Kuopio, Finland). The total sets of coupling constants are described and correlated with the conformational equilibria of the five-membered ring of 1–10, which were calculated using the complete basis set method.
KW - CBS-4M method
KW - H-H coupling constants
KW - PERCH spin–spin simulation
KW - cedrane derivatives
KW - conformational behavior
KW - iterative H NMR analysis
UR - http://www.scopus.com/inward/record.url?scp=84934779764&partnerID=8YFLogxK
U2 - 10.1002/mrc.4246
DO - 10.1002/mrc.4246
M3 - Artículo
C2 - 26132551
AN - SCOPUS:84934779764
SN - 0749-1581
VL - 55
SP - 169
EP - 176
JO - Magnetic Resonance in Chemistry
JF - Magnetic Resonance in Chemistry
IS - 3
ER -