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11?,13-Dihydro-lactucin-8-O-acetate hemihydrate.

ABSTRACT: THE TITLE STRUCTURE (SYSTEMATIC NAME: 9-hydroxy-methyl-3,6-di-methyl-3-methyl-ene-2,7-dioxo-3,3a,4,5,9a,9b-hexa-hydro-azu-leno[4,5-b]furan-4-yl acetate hemihydrate), C(17)H(20)O(6)·0.5H(2)O, from Lactuca floridana, has two independent sesquiterpene lactone mol-ecules in the asymmetric unit. Both have their seven-membered rings in the chair conformation. In the crystal, the OH groups and the water mol-ecule form classical O-H?O hydrogen bonds with O?O distances in the range 2.6750?(17)-2.8160?(18)?Å.

SUBMITTER: Fronczek CF

PROVIDER: S-EPMC2970292 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

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11β,13-Dihydro-lactucin-8-O-acetate hemihydrate.

Fronczek Chris F CF Gomez-Barrios Marco L ML Fischer Nikolaus H NH Fronczek Frank R FR

Acta crystallographica. Section E, Structure reports online 20090930 Pt 10

THE TITLE STRUCTURE (SYSTEMATIC NAME: 9-hydroxy-methyl-3,6-di-methyl-3-methyl-ene-2,7-dioxo-3,3a,4,5,9a,9b-hexa-hydro-azu-leno[4,5-b]furan-4-yl acetate hemihydrate), C(17)H(20)O(6)·0.5H(2)O, from Lactuca floridana, has two independent sesquiterpene lactone mol-ecules in the asymmetric unit. Both have their seven-membered rings in the chair conformation. In the crystal, the OH groups and the water mol-ecule form classical O-H⋯O hydrogen bonds with O⋯O distances in the range 2.6750 (17)-2.8160 (18 ...[more]

PMID: 21578003

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