Stereochemistry of a macrocyclic spermidine alkaloid from Caesalpinia digyna Rottl. X-Ray determination of the structure of caesalpinine C (celallocinnine)

Autor:	Shashi B. Mahato, Niranjan P. Sahu, Peter Luger, Eveline Müller
Rok vydání:	1985
Předmět:	biology Stereochemistry X-ray Caesalpinia digyna biology.organism_classification Spectral line Spermidine chemistry.chemical_compound Crystallography Lattice constant Molecular geometry chemistry Orthorhombic crystal system Diffractometer
Zdroj:	J. Chem. Soc., Perkin Trans. 2. :193-196
ISSN:	1364-5471 0300-9580
DOI:	10.1039/p29850000193
Popis:	The molecular geometry of caesalpinine C (1)(celallocinnine), a macrocyclic spermidine alkaloid isolated from Caesalpinia digyna Rottl., has been determined by means of single-crystal X-ray analysis. The 1H and 13C n.m.r. spectra could satisfactorily be interpreted on the basis of the X-ray structure. The compound, C25H31N3O2, is orthorhombic with space group P212121 and lattice constants a= 9.963(2), b= 8.026(2), c= 28.627(5)A, cell volume V= 2 289.1 A3, and Z= 4. Diffractometer intensity measurements were made with Cu-Kα radiation and least-squares adjustment of the atomic parameters converged to a final R value of 0.05.
Databáze:	OpenAIRE
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