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Deacetyl-nomilin monohydrate.

ABSTRACT: In the title compound (systematic name 1-hy-droxy-1,2-dihydro-obacunoic acid 3,4-lactone monohydrate), C(26)H(32)O(8)·H(2)O, 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. Inter-molecular O-H?O hydrogen bonds between the hy-droxy and carbonyl groups and the water mol-ecule give rise to a three-dimensional structure.

SUBMITTER: Li GQ

PROVIDER: S-EPMC3201424 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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Deacetyl-nomilin monohydrate.

Li Guo-Qiang GQ Ye Yong-Shu YS Yang Yi-Ting YT Luo Hu-Jie HJ Li Yao-Lan YL

Acta crystallographica. Section E, Structure reports online 20110903 Pt 10

In the title compound (systematic name 1-hy-droxy-1,2-dihydro-obacunoic acid 3,4-lactone monohydrate), C(26)H(32)O(8)·H(2)O, 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. Inter-molecular O-H⋯O hydrogen bonds between the hy-droxy and carbonyl groups and the water mol-ecule give rise to a three-dimensional stru ...[more]

PMID: 22065825

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