MOLECULAR STRUCTURE AND ABSOLUTE CONFIGURATION OF THE DITERPENE LACTONE, PRAELOLIDE

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Praelolide is a new compound which was isolated out from the gorgonian, Menella praelonga (Ridley), collected from the South Sea of China at Zhanjiang, Guangdong. The molecular formula is C_(28) H_(35) O_(12)C1. The research result by X-ray diffraction method on the crystal structure is presented. The compound is orthorhombic with space group P2_12_12, cell dimensions α=16.936, b=16.709, c=10.333, and Z=4. The structure has been solved by direct method and refined to R=0.055 for 2257 unique observable reflexions by least-squares. The molecule is composed of the major conformational isomer in which the three main rings(a six-membered ring, an eight-membered ring, a six-membered ring) take separately the form of chair-chairboat-chair, a five-membered actone ring, a C1 substitution, 4 acetate groups, and a three-membered epoxide ring. The absolute configuration of the molecule has also been determined by statistics (R factor ratio =1.012) and Bijvoet pairs observation. For 30 pairs of the greatest anomalo Praelolide is a new compound which was isolated out from the gorgonian, Menella praelonga (Ridley), collected from the South Sea of ​​China at Zhanjiang, Guangdong. The molecular formula is C_ (28) H_ (35) O_ (12) C1. The structure is orthorhombic with space group P2_12_12, cell dimensions α = 16.936, b = 16.709, c = 10.333, and Z = 4. The structure has been solved by direct method and refined to R = 0.055 for 2257 unique observable reflexions by least-squares. The molecule is composed of the major conformational isomer in which the three main rings (a six-membered ring, an eight-membered ring, a six-membered ring ) take separately the form of chair-chairboat-chair, a five-membered actone ring, a C1 substitution, 4 acetate groups, and a three-membered epoxide ring. The absolute configuration of the molecule has also been determined by statistics (R factor ratio = 1.012) and Bijvoet pairs observation. For 30 pairs of th e greatest anomalo
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