Crystal and molecular structure of 10,20-epoxy-grayanotoxin-II |
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| Authors: | Jun'ichi Katakawa Tadahiro Tetsumi Ken-ichi Sakaguchi Masaaki Katai Tadamasa Terai |
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| Affiliation: | (1) Faculty of Pharmaceutical Sciences, Setsunan University, 45-1, Nagaotoge-cho, Hirakata, Osaka, 573-0101, Japan;(2) Institute for Protein Research, Osaka University, Osaka, Japan;(3) Department of Applied Chemistry, Osaka Institute of Technology, Osaka, Japan |
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| Abstract: | The photooxidation with HgO in benzene and the hydrolysis with 2%-KOH in methanol of the grayanotoxin (GTX) derivative (4) gave a 10,20-epoxy-grayanotoxin-II(5). The crystal structure of (5) has been determined by X-ray diffraction at room temperature. The crystal is monoclinic, space group P21, with a = 14.248(10) Å, b = 6.670(10) Å, c = 9.990(10) Å,  = 105.507(8)°, V = 914.9(2) Å3, Z = 2. The structure was solved by direct methods and refined by full-matrix least squares methods to a final R1 = 0.046 (wR2 = 0.0833) for 1161 independent reflections. The molecule has a pentacyclic structure consisting of two five-membered, one six-membered, one seven-membered, and one three-membered rings. The three-membered ring is connected with the seven-membered ring by spiro-type bond. |
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| Keywords: | Crystal and molecular structure photooxidation grayanotoxin-II derivative |
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