A hybrid modeling strategy using Nuclear Overhauser Effect data with contact information

2012 ◽  
Vol 554 ◽  
pp. 190-194 ◽  
Author(s):  
Tae-Rae Kim ◽  
Sunyoung Ji ◽  
Sanghyuk Lee ◽  
In-Sun Chu ◽  
Seokmin Shin ◽  
...  
Keyword(s):  
Nuclear Overhauser Effect ◽  
Hybrid Modeling ◽  
Effect Data ◽  
Overhauser Effect ◽  
Contact Information ◽  
Nuclear Overhauser ◽  
Modeling Strategy

Chemistry of the Podocarpaceae. XXXII. Stereochemistry of 6-Bromo-7-oxo derivatives of ring-c aromatic diterpenoids

1971 ◽  
Vol 24 (6) ◽  
pp. 1237 ◽  
Author(s):  
RC Cambie ◽  
DR Crump ◽  
WA Denny ◽  
TJ Fullerton
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Aromatic Ring ◽  
Nuclear Overhauser Effect ◽  
Optical Rotatory Dispersion ◽  
Optical Rotatory ◽  
Effect Data ◽  
Overhauser Effect ◽  
Methoxycarbonyl Group ◽  
Nuclear Overhauser ◽  
Derivatives Of

The stereochemistry of 6-bromo-7-oxo derivatives of diterpenoids possessing an aromatic ring c is discussed. Nan-stereospecific bromination of 7-oxo diterpenoids occurs for compounds with an unactivated aromatic ring provided that no methoxycarbonyl substituent is at C 4. It also occurs for a C 19 acetate providing an activating substituent is present at C 12, but not for compounds with a C 4 methoxycarbonyl group even if they possess a C 12 activating substituent. The assignment of configuration of 6-bromo substituents from nuclear magnetic resonance and nuclear Overhauser effect data is examined and limitations to the use of optical rotatory dispersion curves are discussed.

The conformational analysis of piriprost, an inhibitor of leukotriene synthesis, based on high-field nuclear magnetic resonance studies

1985 ◽  
Vol 63 (10) ◽  
pp. 2614-2617 ◽  
Author(s):  
George Kotovych ◽  
Helmut Beierbeck ◽  
David Salmon
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
High Field ◽  
Nuclear Overhauser Effect ◽  
Magnetic Resonance Studies ◽  
Effect Data ◽  
Overhauser Effect ◽  
Phenyl Rings ◽  
Nuclear Overhauser ◽  
Cyclopentene Ring

The analysis of proton nuclear Overhauser effect data for piriprost, (6,9-deepoxy)-6,9-(phenylimino)-Δ6,8 prostaglandin I1, indicates that the cyclopentene ring has the 11E conformation. A long-range nOe effect indicates that the α-chain is folded near the pyrrole and the phenyl rings.

1H NMR studies of [N-MeAib1, Tyr(Me)4]ANGII and [N-MeAib1, Tyr(Me)4, Ile8]ANGII in dimethylsulfoxide by nuclear Overhauser effect (NOE) enhancement spectroscopy: cis-trans Isomerism of the His-Pro bond

1990 ◽  
Vol 55 (4) ◽  
pp. 1106-1111 ◽  
Author(s):  
John Matsoukas ◽  
Paul Cordopatis ◽  
Raghav Yamdagni ◽  
Graham J. Moore
Keyword(s):  
1H Nmr ◽  
Nuclear Overhauser Effect ◽  
Nmr Studies ◽  
Restricted Rotation ◽  
Overhauser Effect ◽  
Major Isomer ◽  
Conformational Properties ◽  
Nuclear Overhauser

The conformational properties of the Sarmesin analogues [N-MeAib1, Tyr(Me)4]ANGII and [N-MeAib1, Tyr(Me)4, Ile8]ANGII in hexadeutero-dimethysulfoxide were investigated by Nuclear Overhauser Effect (NOE) Enhancement Studies. Cis-trans isomers (ratio 1 : 6) due to restricted rotation of the His-Pro bond were observed. Interresidue interactions between the His Cα proton and the two Pro Cδ protons revealed that the major isomer was the trans.

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