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(4S,8S,9R,12E)-8,9,16,18-Tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-12,14,16,18-tetraen-2-one monohydrate.

ABSTRACT: The asymmetric unit of the title compound, C(18)H(24)O(6)·H(2)O, contains a 14-membered macrolide mol-ecule and a water mol-ecule. In the crystal structure, intra-molecular C-H?O and O-H?O hydrogen bonds help to stabilize the mol-ecular conformation, while inter-molecular O-H?O hydrogen bonds link the mol-ecules, forming an infinite network. The absolute configuration was assigned by comparison with related zearalenone compounds, but needs verification.

SUBMITTER: Zhao LL

PROVIDER: S-EPMC2961568 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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(4S,8S,9R,12E)-8,9,16,18-Tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-12,14,16,18-tetraen-2-one monohydrate.

Zhao Ling-Ling LL Gai Yue Y Kobayashi Hisayoshi H Hu Chang-Qi CQ Zhang Hui-Ping HP

Acta crystallographica. Section E, Structure reports online 20080507 Pt 6

The asymmetric unit of the title compound, C(18)H(24)O(6)·H(2)O, contains a 14-membered macrolide mol-ecule and a water mol-ecule. In the crystal structure, intra-molecular C-H⋯O and O-H⋯O hydrogen bonds help to stabilize the mol-ecular conformation, while inter-molecular O-H⋯O hydrogen bonds link the mol-ecules, forming an infinite network. The absolute configuration was assigned by comparison with related zearalenone compounds, but needs verification. ...[more]

PMID: 21202724

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