X-Ray molecular structure of caissarone, a novel purine derivative from the sea anemone Bunodosoma caissarum Correa 1964

Abstract

A new quaternary purine derivative isolated from the sea anemone Bunodosoma caissarum has been identified, by spectroscopic measurements and X-ray diffraction analysis, to be 3,9-dimethyl-6-methylimino-8-oxo-3,6,8,9-tetrahydropurine (caissarone) and isolated as the hydrochloride. The X-ray structure indicates that the exocyclic nitrogen is apparently the most electron-rich centre and that the molecule is planar.