The crystal and molecular structure of a grayanotoxin III derivative, 6-0-acetylgrayanotoxin III is presented. The crystal is orthorhombic, space group P212121, witha=15.582(3),b=21.304(3),c=6.339(3)Å,V=2104(1) Å3 Z=4. The structure was solved by direct methods and refined by full matrix least-squares methods to a finalR=0.047 for 1763 independent reflections withF 0>3 σ (F 0) The molecule is based on a tetracyclic structure consisting of two five-membered, one six-membered, and one seven-membered ring with various conformations.
This is a preview of subscription content, log in to check access.
Buy single article
Instant access to the full article PDF.
Price includes VAT for USA
Subscribe to journal
Immediate online access to all issues from 2019. Subscription will auto renew annually.
This is the net price. Taxes to be calculated in checkout.
Catterall, W. A.; Hartshorne, R. P.; Beneski, D. A.,Toxicon 1982,20, 27.
Codding P. W.J. Am. Chem. Soc. 1984,106, 7905.
Ashida, T.,FMLS. The Universal Crystallographic Computing System-Osaka; The Computing Center: Osaka University, Japan, 1979.
Sheldrick, G. M.SHELXS-86. Program for the solution of crystal structures; University of Göttingen: Germany, 1986.
Tanaka, N.; Yamanouchi, K.; Katsube, Y.; Ashida, T.J. Crystallogr. Soc. Jpn. 1989,31, 27.
International Tables for X-ray Crystallography, Vol. IV.; Birmingham: Kynoch Press, 1974.
Stewart, R. F.; Davidson, E. R.; Simpson, W. T.J. Chem. Phys. 1965,42, 3175.
Johnson, C. K.ORTEP II, Report ORLN-5138; Oak Ridge National Laboratory; TN, 1976.
About this article
Cite this article
Sato, M., Katsube, Y., Katai, M. et al. Crystal and molecular structure of 6-0-acetylgrayanotoxin III. J Chem Crystallogr 26, 153–156 (1996). https://doi.org/10.1007/BF01669733
- Crystal and molecular, structure
- grayanotoxin III derivative