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X-ray crystal structure of iridoid glucoside aucubin and its aglycone.

Carbohydrate research (2009-09-19)
Yang Li, Ye Zhao, Yong-Min Zhang, Min-Juan Wang, Wen-Ji Sun
ABSTRACT

X-ray diffraction analyses of iridoid glycoside aucubin (1) and its aglycone aucubigenin (2) are reported. It was found that crystals of 1 are orthorhombic, with P2(1)2(1)2(1) space group, both cyclopentane ring and pyran ring adopt envelope conformations, and the Glc moiety is in the (4)C(1) conformation. Crystals of 2 are monoclinic, with space group P2(1), the cyclopentane and pyran rings also adopt the envelope conformation. The absolute configurations of 1 and 2 were also determined. Intensive O-H . . . O hydrogen bonds in both crystal lattices were observed.

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Supelco
Aucubin, analytical standard
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