1H-1H Long range couplings in fused cyclopropanes. NMR spectral assignment and conformation of 17,18-cyclosteroids
1H-1H NMR couplings through four bonds ( 4JH-H) involving cyclopropane hydrogens were calculated for model compounds by semiempirical methods and used for the 13C and 1H NMR spectral assignment of 17,18-cyclosteroids. The couplings (4JHH) between cyclopropyl and non-cyclopropyl hydrogens follow an a...
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todo:paper_03009580_v5_n_p933_Sproviero2023-10-03T15:18:05Z 1H-1H Long range couplings in fused cyclopropanes. NMR spectral assignment and conformation of 17,18-cyclosteroids Sproviero, E.M. Ferrara, A. Contreras, R.H. Burton, G. 1H-1H NMR couplings through four bonds ( 4JH-H) involving cyclopropane hydrogens were calculated for model compounds by semiempirical methods and used for the 13C and 1H NMR spectral assignment of 17,18-cyclosteroids. The couplings (4JHH) between cyclopropyl and non-cyclopropyl hydrogens follow an angular dependence which resembles that of allylic couplings. Solution conformations of rings C-D and the side-chain of 17,18-cyclopregnanes were determined from semiempirical molecular orbital calculations, three and four bond 1H-1H coupling constants and NOE measurements. Fil:Sproviero, E.M. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Ferrara, A. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Contreras, R.H. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Burton, G. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_03009580_v5_n_p933_Sproviero |
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Universidad de Buenos Aires |
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I-28 |
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R-134 |
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| description |
1H-1H NMR couplings through four bonds ( 4JH-H) involving cyclopropane hydrogens were calculated for model compounds by semiempirical methods and used for the 13C and 1H NMR spectral assignment of 17,18-cyclosteroids. The couplings (4JHH) between cyclopropyl and non-cyclopropyl hydrogens follow an angular dependence which resembles that of allylic couplings. Solution conformations of rings C-D and the side-chain of 17,18-cyclopregnanes were determined from semiempirical molecular orbital calculations, three and four bond 1H-1H coupling constants and NOE measurements. |
| format |
JOUR |
| author |
Sproviero, E.M. Ferrara, A. Contreras, R.H. Burton, G. |
| spellingShingle |
Sproviero, E.M. Ferrara, A. Contreras, R.H. Burton, G. 1H-1H Long range couplings in fused cyclopropanes. NMR spectral assignment and conformation of 17,18-cyclosteroids |
| author_facet |
Sproviero, E.M. Ferrara, A. Contreras, R.H. Burton, G. |
| author_sort |
Sproviero, E.M. |
| title |
1H-1H Long range couplings in fused cyclopropanes. NMR spectral assignment and conformation of 17,18-cyclosteroids |
| title_short |
1H-1H Long range couplings in fused cyclopropanes. NMR spectral assignment and conformation of 17,18-cyclosteroids |
| title_full |
1H-1H Long range couplings in fused cyclopropanes. NMR spectral assignment and conformation of 17,18-cyclosteroids |
| title_fullStr |
1H-1H Long range couplings in fused cyclopropanes. NMR spectral assignment and conformation of 17,18-cyclosteroids |
| title_full_unstemmed |
1H-1H Long range couplings in fused cyclopropanes. NMR spectral assignment and conformation of 17,18-cyclosteroids |
| title_sort |
1h-1h long range couplings in fused cyclopropanes. nmr spectral assignment and conformation of 17,18-cyclosteroids |
| url |
http://hdl.handle.net/20.500.12110/paper_03009580_v5_n_p933_Sproviero |
| work_keys_str_mv |
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1807314718802575360 |