Crystal and molecular structure of delsoline |
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| Authors: | Balawant S. Joshi Haridutt K. Desai S. William Pelletier M. Gary Newton |
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| Affiliation: | (1) Institute for Natural Products Research and Department of Chemistry, The University of Georgia, 30602 Athens, Georgia;(2) X-Ray Difraction Laboratory, Department of Chemistry, The University of Georgia, 30602 Athens, Georgia |
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| Abstract: | The crystal and molecular structure of the diterpenoid alkaloid delsoline (1) C25H41NO7, Mr 467.61, has been determined by an X-ray analysis. The X-ray crystal structure which could not be solved earlier withMultan, has now been solved using the SIR 88 analysis program. The compound crystallizes in the space groupP212121 with cell parameters:a=12.529(2),b=13.118(1),c=14.231(6)Å,V=2339(1)Å3,Z=4,Dcalc=1.33 g/cm–3,  (CuK )=1.54184 Å, (CuK)=7.4 cm–1,R/Rw=0.068/0.040 for 2539 reflections. The A ring of delsoline exists in the boat conformation stabilized by an intramolecular N---H-O hydrogen bond. Ring D also is in a boat form. Unambiguous proton and carbon-13 nmr assignments have been made by a detailed analysis of the DEPT, COSY, NOESY, and HETCOR nmr spectra. |
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