共查询到20条相似文献,搜索用时 15 毫秒
1.
Steyn PS Breytenbach JC Botha JH Fernandes MA Wessels PL 《Magnetic resonance in chemistry : MRC》2008,46(7):650-659
Five novel epoxide derivatives of cytochalasin B were synthesized. Reaction of cytochalasin B with t-BHP and BuLi led to selective epoxidation of the C-21/22 double bond to give a single monoepoxide, while reaction with m-CPBA yielded two diepoxides. Reaction of the monoepoxide with m-CPBA yielded two triepoxides. The relative configurations of the epoxides were elucidated by analogy with the natural product by means of spectroscopic methods; full assignment of NMR signals was achieved, and the absolute configuration was confirmed by X-ray crystallography. 相似文献
2.
《Magnetic resonance in chemistry : MRC》2003,41(9):729-730
The characterization of four aryl diisoprenes was carried out by 1D‐ and 2D‐NMR methods, which permitted the assignment of the signals of all protons and all carbon atoms. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
3.
Nine flavonol derivatives were studied. Previously reported NMR data of three of these derivatives were corrected. We report complete assignments of the NMR data for six flavonol derivatives not previously studied. 相似文献
4.
Markus Bacher Karl Baumann Hermann Knapp Andrea Steck Sigrid Teibl 《Magnetic resonance in chemistry : MRC》2009,47(1):71-83
The complete 1H and 13C NMR data of 27 pravastatin derivatives are presented. Assignment was achieved by use of 1D and 2D NMR experiments (selective 1D NOE, COSY, NOESY, HSQC, HMBC). Copyright © 2008 John Wiley & Sons, Ltd. 相似文献
5.
de Carvalho MG do Rocha Gomes MS Fernandes Pereira AH de Souza Daniel JF Schripsema J 《Magnetic resonance in chemistry : MRC》2006,44(1):35-37
The (1)H and (13)C NMR spectra of 5-acetyl-7,4'-dimethoxyflavone-(6-8')-5'-acetyl-7',4'-dimethoxyflavone, a new agathisflavone derivative, were completely assigned on the basis of 1D and 2D NMR techniques. 相似文献
6.
Six flavone derivatives were studied. Previously reported NMR data of three of these derivatives were corrected and the NMR data for the other three derivatives not studied previously were completely assigned on the basis of the basic 1D and 2D NMR experiments and molecular modeling. 相似文献
7.
Complete and unambiguous 1H and 13C NMR chemical shift assignments for all‐trans‐retinal, 13‐cis‐retinal, 11‐cis‐retinal and 9‐cis‐retinal (1–4) have been established by means of two‐dimensional COSY, HSQC, HMBC and NOESY spectroscopic experiments. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
8.
Chalcones, intermediates in flavonoid biosynthesis, can exhibit antibacterial, antiproliferative, and anti-inflammatory properties. Chalcones contain two benzene rings and both hydroxylated and methoxylated analogs are frequently produced by hydroxylases and O-methyltransferases in plant biosynthetic pathways. Assignments of NMR peaks in the spectra of hydroxylated and/or methoxylated chalcones can help in identifying novel chalcone derivatives isolated from natural sources by referencing these data against NMR spectra obtained from known chalcones. We report here the syntheses of 20 chalcones and complete assignments of (1)H and (13)C NMR spectra. 相似文献
9.
Djenisa H. A. Rocha Diana C. G. A. Pinto Raquel S. G. R. Seixas Artur M. S. Silva 《Magnetic resonance in chemistry : MRC》2014,52(1-2):47-50
Ten 3‐methylflavone derivatives were studied. Previously reported NMR data of some derivatives were corrected and/or completed, including the complete assignment of the two known natural derivatives. The complete 1H and 13C NMR assignments were achieved by combination of one‐dimensional and two‐dimensional NMR experiments. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
10.
Quezada E Delogu G Viña D Santana L Picciau C Podda G Uriarte E 《Magnetic resonance in chemistry : MRC》2008,46(7):701-705
The synthesis of four pyranocoumarins starting from phloroglucinol and the complete (1)H and (13)C NMR assignment of seven pyranocoumarins has been performed using 1D and 2D NMR techniques including COSY, HMQC and HMBC experiments. 相似文献
11.
Plainchont B Martinez A Tisse S Bouillon JP Pilard F Wieruszeski JM Lippens G Jeannerat D Nuzillard JM 《Magnetic resonance in chemistry : MRC》2011,49(12):781-787
The complete assignment of the (1)H and (13)C sugar resonances in mono-3,6-anhydro-heptakis(2,3-O-methyl)-hexakis(6-O-methyl)-β-cyclodextrin, an asymmetrically functionalized β-cyclodextrin, was carried out by means of 2D NMR experiments. The TOCSY and the homonuclear multiple relay COSY spectra provided most of the (1)H assignments. The multiplicity edited HSQC and a set of F(1) selective HSQC-TOCSY and multiple relay HSQC-COSY spectra gave access to most of the (13)C chemical shifts. The latter were fully and accurately determined by means of a pair of complementary, highly folded HSQC-TOCSY spectra. The TOCSY-ROESY and ROESY-TOCSY spectra yielded the sequential assignment of the sugar units. A high resolution F(1) selective F(1) decoupled version of the TOCSY-ROESY experiment was recorded. 相似文献
12.
Zhiyong Guo Kun Zou Junzhi Wang Chuang Liu Zichun Tang Chunyan Yang 《Magnetic resonance in chemistry : MRC》2009,47(7):613-616
Three new furostanol saponins (1–3) were isolated from the roots of Tupistra chinensis (T. chinensis). And their structures were elucidated on the basis of NMR and mass spectrometry (MS) spectral analysis. Copyright © 2009 John Wiley & Sons, Ltd. 相似文献
13.
Henckens A Adriaensens P Gelan J Lutsen L Vanderzande D 《Magnetic resonance in chemistry : MRC》2004,42(11):931-937
This paper describes the synthesis of thiophene-substituted sulfinyl monomers. It comprises a four-step reaction by which the thiophene unit is built in via Suzuki coupling. These monomers could be used as building blocks for the preparation of conducting polymers via a new concept: the sulfinyl precursor route i.e. via thiophene substituted poly(p-phenylenevinylene) precursors. Furthermore, the complete 1H and 13C NMR signal assignment is presented. In addition to being essential for the characterization of the polymers concerned, it offers useful input information for further improvement of chemical shift prediction software. Furthermore, the T1C relaxation decay times are demonstrated to have the potential of being a fast and robust criterion for the spectral assignment of analogous monomers. 相似文献
14.
Five new xanthones, namely Garcinexanthones A-E (1-5), were isolated from the barks of Garcinia xanthochymus. Their structures were elucidated by spectral analysis, primarily NMR, MS, and UV. The complete assignments of the (1)H NMR and (13)C NMR chemical shifts for the compounds were achieved by using 1D and 2D NMR techniques, including DEPT, HSQC, and HMBC NMR experiments. 相似文献
15.
Domingues NL Mondino MG Reis AK Rittner R Lima FS Olivato PR 《Magnetic resonance in chemistry : MRC》2007,45(1):87-89
The complete assignments of the 1H and 13C NMR spectra of the some alpha-arylthio and alpha-arylsulfonyl substituted N-methoxy-N-methyl propionamides, bearing methoxy, methyl, chloro, and nitro as substituents at the phenyl ring are reported. 相似文献
16.
We have developed an NMR chemical shift prediction system that enables high throughput automatic grading of NMR spectra. In support of high throughput synthetic efforts for our drug discovery program, a rapid and accurate analysis for identity was needed. The system was designed and implemented to take advantage of the NMR assignments that had been tabulated on internally generated research compounds. The system has been operational for four years and has been used in conjunction with an internally written grading program to successfully analyze several hundred thousand samples based only on their 1D 1H spectrum. A focused test of the system's accuracy on 1006 molecules demonstrated the ability to estimate the proton chemical shift with an average error of +/?0.16 ppm. This level of chemical shift accuracy allows for reliable structure confirmation by automated analysis using only proton NMR. Copyright © 2009 John Wiley & Sons, Ltd. 相似文献
17.
Aline Lima de Oliveira Carlos Henrique Alves de Oliveira Laura Maia Mairink Francine Pazini Ricardo Menegatti Luciano Morais Lião 《Magnetic resonance in chemistry : MRC》2011,49(8):537-542
Complete assignment of 1H and 13C NMR chemical shifts and J(1H/1H and 1H/19F) coupling constants for 22 1‐phenyl‐1H‐pyrazoles' derivates were performed using the concerted application of 1H 1D and 1H, 13C 2D gs‐HSQC and gs‐HMBC experiments. All 1‐phenyl‐1H‐pyrazoles' derivatives were synthesized as described by Finar and co‐workers. The formylated 1‐phenyl‐1H‐pyrazoles' derivatives were performed under Duff's conditions. Copyright © 2011 John Wiley & Sons, Ltd. 相似文献
18.
John A. Kalaitzis Rohan A. Davis Ronald J. Quinn 《Magnetic resonance in chemistry : MRC》2012,50(11):749-754
Bromotyrosine‐derived compounds are commonly isolated from Verongida sponges and are a major class of marine natural products. Here we report on the unequivocal 13C NMR assignment of the brominated carbons at positions C‐2 and C‐4 of the cyclohexadiene ring, two carbons whose resonances are often incorrectly assigned. Interpretation of HMBC data acquired for a series of known bromotyrosine analogues, which included ianthesine E (1), aerothionin (2), 11‐hydroxyaerothionin (3), and 11,19‐dideoxyfistularin‐3 (4), allowed us to unequivocally assign the carbons in question, C‐2 and C‐4, through the observance of unique HMBC correlations from the C‐1 hydroxyl proton. Here we present the complete 2D NMR data sets recorded in DMSO‐d6 for 2–4 that were used to confirm the assignment and establish the working model. Using this model, a survey of the literature revealed that many members of this structure class had been wrongly assigned. This paper serves to reassign those compounds whose 13C NMR assignment at positions C‐2 and C‐4 of the cyclohexadiene ring should be reversed. Copyright © 2012 John Wiley & Sons, Ltd. 相似文献
19.
对治疗消化道疾病的新药替加色罗的核磁共振谱进行了分析。结合HHCOSY,HMQC,HMBC等二维核磁共振技术对其^1H NMR及^13C NMR谱的信号进行了全归属。 相似文献
20.
The (1)H and (13)C NMR signal assignment of the data of 13 scopadulane-type diterpenes is reported. It was based on one- and two- dimensional NMR techniques which included (1)H, (13)C, DEPT, HMQC and 1D NOE difference spectroscopy. 相似文献