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PCILO calculation on the ansa conformation of hexahydrorifamycin S

✍ Scribed by Luigi Cassidei; Marco Maestro; Oronzo Sciacovelli


Book ID
119115609
Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
407 KB
Volume
86
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES


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## Abstract The study of 16, 17, 18, 19, 28, 29‐hexahydrorifamycin S by ^1^H‐NMR. spectroscopy using INDOR at 100 MHz and homodecoupling at 270 MHz has shown that the conformation of the ansa fragment C(20)‐C(27) and the position of this fragment relative to the naphthoquinone chromophore are pract

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The conformational behaviour and the charge distribution of methylphosphorylcholine has been analyzed within the framework of the PCILO method including phosphorus-oxygen o-and 7r-bonds. In the global minimum of energy the -O-P-O-C-C chain has a (-synclinal, -synclinal, -syn/anticlinal, +anticlinal)