Abstract
Duclauxin, [8R-(8α,8aβ,15aβ,15bα,16S * )]-16-(acetyloxy)-8a,15a-dihydro-4,11-dihydroxy-8a-methoxy-6,9-dimethyl-7H-8,15b-methano-1H,3H,12H-benzo[de]cyclohepta[1,2-g:3,4,5-d'e']bis[2]benzopyran-3,7,12,15(8H)-tetrone, cocrystallized with ethyl acetate solvent (2:1). Duclauxin, an antitumor agent, when isolated from Penicillium herquei displays an unusually low melting point (469-471 K) compared with duclauxin from P. duclauxii or P. stipitatum (503 and 508-509 K, respectively), even though all spectral characterizations of duclauxin from these three sources indicate identical substances. The X-ray structural analysis of duclauxin from P. herquei reveals the presence of an ethyl acetate molecule, which is a likely explanation for the abnormal melting point. The duclauxin molecular structure consists of two largely planar halves which are held by the remaining atoms into an approximate open clam-shell configuration. Significant intramolecular hydrogen bonding is observed between the phenolic hydroxyl groups and lactonic carbonyl O atoms; the only significant intermolecular hydrogen bonding is between the ketonic O(3) atom of one duclauxin molecule to the phenolic O(6) atom in the other. There are no especially close intermolecular contacts between ethyl acetate and either of the duclauxin molecules
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Acta Crystallographica Section C Crystal Structure Communications
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
