Complete 1H NMR assignment of cedranolides

被引：11

作者：

Perez-Hernandez, Nury ^{[2
]}

Gordillo-Roman, Barbara ^{[1
]}

Arrieta-Baez, Daniel ^{[3
]}

Cerda-Garcia-Rojas, Carlos M. ^{[1
]}

Joseph-Nathan, Pedro ^{[1
]}

机构：

[1] Inst Politecn Nacl, Ctr Invest & Estud Avanzados, Dept Quim, Apartado 14-740, Mexico City 07000, DF, Mexico

[2] Inst Politecn Nacl, Escuela Nacl Med & Homeopatia, Guillermo Massieu Helguera 239, Mexico City 07320, DF, Mexico

[3] Inst Politecn Nacl, Ctr Nanociencias & Micro & Nanotecnol, Mexico City 07738, DF, Mexico

来源：

MAGNETIC RESONANCE IN CHEMISTRY | 2017年 / 55卷 / 03期

关键词：

cedrane derivatives; iterative H-1 NMR analysis; PERCH spin-spin simulation; conformational behavior; H-1-H-1 coupling constants; CBS-4M method; SET MODEL CHEMISTRY; BARK SAPWOOD; NMR-SPECTRA; CEDROL; CYCLOADDITIONS; HEARTWOOD; LEAVES;

D O I：

10.1002/mrc.4246

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Complete and unambiguous H-1 NMR chemical shift assignment of alpha-cedrene (2) and cedrol (9), as well as for alpha-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. Copyright (c) 2015 John Wiley & Sons, Ltd.

引用

页码：169 / 176

页数：8

共 50 条

[21] A laboratory assignment in 1H NMR spectroscopy:: A comparative analysis of calculated and experimental 1H NMR chemical shifts
Van Arnum, SD
JOURNAL OF CHEMICAL EDUCATION, 2006, 83 (03) : 429 - 431
[22] Complete assignment of 1H NMR spectra and structural analysis of intact bacteriochlorophyll c dimer in solution
Wang, ZY
Umetsu, M
Kobayashi, M
Nozawa, T
JOURNAL OF PHYSICAL CHEMISTRY B, 1999, 103 (18): : 3742 - 3753
[23] Complete assignment of 1H and 13C NMR data for three aryltetralin lignan lactones
da Silva, R
Heleno, VCG
de Albuquerque, S
Bastos, JK
Silva, MLAE
Donate, PM
da Silva, GVJ
MAGNETIC RESONANCE IN CHEMISTRY, 2004, 42 (11) : 985 - 989
[24] Complete Assignment of the 1H and 13C NMR Spectra of Steroidal Sapogenins: Smilagenin and Sarsasapogenin
Magn Res Chem, 7 (441):
[25] Complete assignment of the 1H and 13C NMR spectra of some lignoids from Lauraceae
Barbosa-Filho, JM
da-Cunha, EVL
da Silva, MS
MAGNETIC RESONANCE IN CHEMISTRY, 1998, 36 (12) : 929 - 935
[26] Complete 1H NMR spectral fingerprint of huperzine A
Niemitz, Matthias
Laatikainen, Reino
Chen, Shao-Nong
Kleps, Robert
Kozikowski, Alan P.
Pauli, Guido F.
MAGNETIC RESONANCE IN CHEMISTRY, 2007, 45 (10) : 878 - 882
[27] Chiral thiols:: The assignment of their absolute configuration by 1H NMR
Porto, Silvia
Manuel Seco, Jose
Ortiz, Aurelio
Quinoa, Emilio
Riguera, Ricardo
ORGANIC LETTERS, 2007, 9 (24) : 5015 - 5018
[28] Assignment of the 1H and 13C NMR of tocotrienois
Ohnmacht, Stephan
West, Ryan
Sirnionescu, Razvan
Atkinson, Jeffrey
MAGNETIC RESONANCE IN CHEMISTRY, 2008, 46 (03) : 287 - 294
[29] Complete 1H and 13C NMR assignment and 31P NMR determination of pentacyclic triterpenic acids
Dais, Photis
Plessel, Rebecca
Williamson, Kathryn
Hatzakis, Emmanuel
ANALYTICAL METHODS, 2017, 9 (06) : 949 - 957
[30] Complete Assignment of 1H and 13C NMR Spectra of 1,2,4-Trisubstituted Pyrroles
Anselmi, Elsa
Abarbri, Mohamed
Duchene, Alain
Lamande-Langle, Sandrine
Thibonnet, Jerome
JOURNAL OF SPECTROSCOPY, 2013, 2013

← 1 2 3 4 5 →