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Abstract
In the title compound (systematic name 1-hydroxy-1,2-dihydroobacunoic acid 3,4-lactone monohydrate), C26H32O8·H2O, the dihedral angles between the planes of the ester groups and the furan plane are 43.06 (12) and 56.06 (7)°, while that between the furan plane and the keto group is 58.50 (9)°. The A/B, B/C and C/D ring junctions are all trans-fused. Intermolecular O—H⋯O hydrogen bonds between the hydroxy and carbonyl groups and the water molecule give rise to a three-dimensional structure.
Highlights
Guangdong Province Key Laboratory of Pharmacodynamic Constituents of Traditional Chinese Medicine and New Drugs Research, Institute of Traditional
In the title compound, C26H32O8H2O, the dihedral angles between the planes of the ester groups and the furan plane are 43.06 (12) and 56.06 (7), while that between the furan plane and the keto group is 58.50 (9)
H atoms treated by a mixture of independent and constrained refinement max = 0.14 e Å3
Summary
Guangdong Province Key Laboratory of Pharmacodynamic Constituents of Traditional Chinese Medicine and New Drugs Research, Institute of Traditional. Chinese Medicine and Natural Products, College of Pharmacy, Jinan University, Guangzhou 510632, People’s Republic of China, and bInfinitus (China) Company. R factor = 0.032; wR factor = 0.085; data-to-parameter ratio = 10.3. In the title compound (systematic name 1-hydroxy-1,2dihydroobacunoic acid 3,4-lactone monohydrate), C26H32O8H2O, the dihedral angles between the planes of the ester groups and the furan plane are 43.06 (12) and 56.06 (7) , while that between the furan plane and the keto group is 58.50 (9). The A/B, B/C and C/D ring junctions are all trans-fused. Intermolecular O—H O hydrogen bonds between the hydroxy and carbonyl groups and the water molecule give rise to a three-dimensional structure
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