Select
2D NMR STUDIES ON DITERPENE ESTER AND SESQUITERPENE GLUCOSIDE FROM THE GENUS EUPHORBIA
Shi Yanping, Yang Li, Jia Zhongjian
Chinese Journal of Magnetic Resonance, 1997, 14(3): 217-221.
A new diterpene ester (5, 20-O-diacetylingenol-3-O-(2'E, 4'Z)-teteradecadienoate) and a known sesquiterpene glucoside(Roseoside) were isolated from the whole part of Euphorbia petiolata and E.macroclada, respectively. The position of the three esters of compound (1) and one glucose moiety of compound (2) were umbiguously assigned on the basis of HMBC experiment, and all the 1 H and 13 C NMR chemical shifts of the two compounds were also assigned by 2D NMR techniques, such as H-1 H COSY, 13 C-1 H COSY, HMQC and HMBC.
Select
APPROACH TO CHEMICAL SHIFT SUM OF 13 C NMR SPECTROMETRY IN ALKANES BASED ON A NOVEL MOLECULAR DISTANCE-EDGE VECTOR (DE, λ)
Li Zhiliang, Yu Banmei, Liu Shushen, Liu Heining, Cao Chenzhong, Hu Fang, Muramatsu Y, Matsumoto S, Miyashita Y, Sasaki S
Chinese Journal of Magnetic Resonance, 1997, 14(3): 245-251.
Systematic studies were made on 13 C NMR and its regularity of chemical shift sum (CSS). In this paper, a set of novel molecular graph-theoretical parameters, called the distance-edge vector (lambt,λ) was developed and found to be excellent correlated with 13 C NMR CSS of alkanes as CSS=-24.2937+32.1835λ1 +24.8344λ2 +24.4614λ3 +25.9988λ4 +15.2348λ5 +0.4016λ6 +23.8872-λ7 +38.9112λ8 +78.3879λ9 +146.0000λ10 which gave good results.
Select
STRUCTURAL DETERMINATION OF ETHYL (OR METHYL) 2,2-DIMETHYL-3-(2,2-DICHLOROETHENYL) CYCLOPANECARBOX-YLATE AND ITS SYNTHETIC INTERMEDIATES
Yang Yang, Lu Shiwei, Liu Xiumei, Liu Xianchun, Zhao Qi, Han Xiuwen
Chinese Journal of Magnetic Resonance, 1997, 14(3): 253-256.
Intermediates of pyrethroid pesticides-ethyl (or methyl). 3,3-dimethyl-4-pentenoate. ethyl (or methyl). 4, 6, 6, 6-tetrachloro-3, 3-dimethyl hexanoate and ethyl. (or methyl) 2,2-dimethyl-3-(2,2-dichloroethenyl) cyclopanecarboxylate were synthesized in succession through prenol-orthoacetate method. Their elemental analysis. IR spectrum and 1 H NMR were consistent with those reported. In order'to make clear the structures of these compounds further, the 13 C and 1 H NMR chemical shifts were assigned completely by H-H COSY and 13 C-1 H COSY spectra.
Select
NMR STUDY OF α , α '-DIOXOKETENE CYCLIC N, N-ACETALS
Xu Yongting, Hu Jiehan, Zhu Zaiming, Li Jiping, Cheng Guobao
Chinese Journal of Magnetic Resonance, 1997, 14(3): 263-266.
NMR spectra of 5 new kinds of α ,α '-dioxoketene cyclic N, N-acetals are reported in this paper. The structures. were determined by 1 H、13 C NMR spectra etc., and the chemical shifts of all NMR peaks kaye been assigned. The effects of structure on the chemical shifts are discussed.