Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/9570
Title: Crystal structure of 3S-hydroxy-7 melleine
Authors: Liu, XH
Xu, F
Zhang, Y
Liu, LH
Huang, HR
She, ZG
Lin, YC
Chan, W
Keywords: 3S-hydroxy-7 melleine
Crystal structure
Isolation
Issue Date: 2006
Publisher: 中国物理学会
Source: 化学物理学报 (Chinese journal of chemical physics) , 2006, v. 19, no. 5, p. 423-427 How to cite?
Journal: 化学物理学报 (Chinese journal of chemical physics) 
Abstract: A new compound, 3S-hydroxy-7 melleine was isolated from the endophytic fungus Xylariasp No.2508 from the mangrove tree on the South China Sea coast. It was the first time that this kind of compound was isolated from marine fungus. The structure was elucidated by NMR data, infrared spectrum (IR) and mass spectrometry (MS). In addition, its structure was determined by the single-crystal X-ray diffraction analysis. It crystallized in monoclinic, space group P21 with a=10.8884(19) Å, b=7.2284(13) Å, c=13.398(2) Å, β=104.217(3)°, C10H10O 4·H2O, Mr=212.20, V=1022.2(3) Å3, Z=4, Dc=1.379 mg/m3, F(000)=448, μ=0.112 mm-1, the final R=0.0498, wR=0.101 for 2407 observed reflections (I>2σ(I)), The molecular backbone of the compound includes a benzopyran ring. By comparing with the melting point and the optical rotation of the known 3R-hydroxy-7 melleine in literature, the absolute configuration of the compound was determined as 3S. It didn't exhibit antibacterial activity against Gram-positive bacterium Staphylococcus aureus at 200 μg/disk in the preliminary test.
URI: http://hdl.handle.net/10397/9570
ISSN: 1003-7713
EISSN: 1674-0068
DOI: 10.1360/cjcp2006.19(5).423.5
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