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(1R,4S,8R,9R,12S,13S,14R,16S,17R,19R)-17-[(Ethyl-sulfan-yl)meth-yl]-9,14-di-hydroxy-7,7-dimethyl-2,18-dioxo-3,10-dioxapenta-cyclo[14.2.1.0.0.0]nona-decan-19-yl acetate acetone solvate.

ABSTRACT: The title compound, C(24)H(32)O(8)S·C(3)H(6)O, features three six-membered and two five-membered rings. The six-membered rings adopt chair, boat and slightly distorted boat conformations whereas one five-membered ring adopts an approximate envelope conformation and the other a twist conformation. Disorder was modelled for the ethyl-thio group with the ethyl-C atoms resolved over three positions with occupancies of 0.58?(4), 0.23?(4) and 0.19?(3). In the crystal, an O-H?O hydrogen bond links the molecules into chains.

SUBMITTER: Shi H

PROVIDER: S-EPMC2968108 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

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(1R,4S,8R,9R,12S,13S,14R,16S,17R,19R)-17-[(Ethyl-sulfan-yl)meth-yl]-9,14-di-hydroxy-7,7-dimethyl-2,18-dioxo-3,10-dioxapenta-cyclo[14.2.1.0.0.0]nona-decan-19-yl acetate acetone solvate.

Shi Hao H Sun Hong Xiang HX

Acta crystallographica. Section E, Structure reports online 20081224 Pt 1

The title compound, C(24)H(32)O(8)S·C(3)H(6)O, features three six-membered and two five-membered rings. The six-membered rings adopt chair, boat and slightly distorted boat conformations whereas one five-membered ring adopts an approximate envelope conformation and the other a twist conformation. Disorder was modelled for the ethyl-thio group with the ethyl-C atoms resolved over three positions with occupancies of 0.58 (4), 0.23 (4) and 0.19 (3). In the crystal, an O-H⋯O hydrogen bond links the ...[more]

PMID: 21581657

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