Differentiation of HMBC two- and three-bond correlations: A method to simplify the structure determination of natural products

Köck, Matthias; Reif, Bernd; Fenical, William; Griesinger, Christian

doi:10.1016/0040-4039(95)02206-6

Cited by 77 publications

(68 citation statements)

References 12 publications

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“…10,11 The ADEQUATE experiments date back to the work of Griesinger and coworkers in 1996. 12 -15 There were four initial variants of the experiment designated by the prefixes 1,1-, 1,n-, n,1-, and n,n-or m,n-ADEQUATE. The first prefix designator refers to the heteronuclear coupling pathway, either 1 J CH or n J CH for 1 and n, respectively.…”

Section: Introductionmentioning

confidence: 99%

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Application of 1,n-ADEQUATE and Modified Variants to Structure Elucidation and Spectral Assignment Problems

Martin

Reibarkh

Buevich

et al. 2014

eMagRes

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Section: Introductionmentioning

confidence: 99%

“…12,13,15 The sensitivity of the n,1-ADEQUATE experiment is correspondingly much lower H R 1 Figure 1. Schematic representation of the magnetization transfer pathway of the 1,1-ADEQUATE experiment.…”

Section: Introductionmentioning

confidence: 99%

Application of 1,n-ADEQUATE and Modified Variants to Structure Elucidation and Spectral Assignment Problems

Martin

Reibarkh

Buevich

et al. 2014

eMagRes

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“…In contrast, there have been a number of studies reported using variants of the 1,1-ADEQUATE experiment first reported by Griesinger and coworkers. 10,11 A summary of the variants of the ADEQUATE experiment, including 1,1-, n,1-, 1,n-and m,n-ADEQUATE…”

Section: Abstract: Nmr; Hsqc; Hmbc; Covariance Processing; Long-rangementioning

confidence: 99%

Long-range carbon-carbon connectivity via unsymmetrical indirect covariance processing of HSQC and HMBC NMR data

Blinov¹,

Larin²,

Williams³

et al. 2006

Magn. Reson. Chem.

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It was recently demonstrated that an IDR- (Inverted Direct Response) HSQC-TOCSY data set could be decomposed into a negatively phased direct response spectrum and a positively phased relayed response spectrum that could then be subjected to unsymmetrical indirect covariance processing for the removal of artifacts due to response overlap in the proton NMR spectrum of the molecule. Using experimentally discrete HSQC and HMBC data sets, it is shown that unsymmetrical indirect covariance processing of the pair of NMR spectra affords a presentation containing long-range carbon-carbon connectivity information. The method is demonstrated using strychnine as a model compound. The resulting data are largely free of artifacts although artifacts can arise due to proton response overlap, as previously reported.

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“…The 1,1-ADEQUATE experiment yields 1 H, 13 C correlations over exactly two bonds, which is of special interest for the distinction of HMBC two-and threebond 1 H, 13 C correlations. 15 Very recently, 2 J, 3 J-HMBC was introduced, which also allows one to differentiate between two-and three-bond correlations. 19 The 1,n-or n,1-ADEQUATE experiments allow one to observe correlations up to four bonds, which is an additional Scheme 1.…”

Section: Introductionmentioning

confidence: 99%

“…A very important point in terms of the spectral analysis is the ω 1 -refocused version of the ADEQUATE experiments, which allows one to analyse these spectra in the same manner as the HMBC. 15,17 Experiments involving 13 C are typically run with rectangular pulses with a B 1 max of 19.2-22.7 kHz. These pulses do not cover homogeneously all resonances in the 13 C spectrum, which has a width of 200 ppm that corresponds to a frequency range of 30 kHz for a 600 MHz spectrometer (offset dependence).…”

Section: Introductionmentioning

confidence: 99%

A broadband ADEQUATE pulse sequence using chirp pulses

Köck

Kerssebaum

Bermel

2002

Magnetic Reson in Chemistry

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Recently, we have introduced the ADEQUATE pulse sequence as a sensitive method to observe 13 C, 13 C correlations in natural products. This kind of experiment suffers from offset-dependent effects of the 180• ( 13 C) pulses. Here we describe an application of smoothed chirp pulses in the ADEQUATE pulse sequence which allows 13 C, 13 C correlations to be run without any offset dependences. This experiment is called chirp ADEQUATE and was applied to d-valerolactone and cholesteryl acetate. This modification will allow a general application of the ADEQUATE pulse sequence.

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Differentiation of HMBC two- and three-bond correlations: A method to simplify the structure determination of natural products

Cited by 77 publications

References 12 publications

Application of 1,n-ADEQUATE and Modified Variants to Structure Elucidation and Spectral Assignment Problems

Application of 1,n-ADEQUATE and Modified Variants to Structure Elucidation and Spectral Assignment Problems

Long-range carbon-carbon connectivity via unsymmetrical indirect covariance processing of HSQC and HMBC NMR data

A broadband ADEQUATE pulse sequence using chirp pulses

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