(1β,2α,3α,7α,11α,13β)-1,3,7,11-Tetraacetoxy-2,13-bis(benzyloxy)-21-methyl-19,21-secohetisan-19-al hemihydrate

oleh: Feng-Zheng Chen, Qing-Xiang Xiang, Yuan-Qin Zhang, Jun-Ru Xiong

Format: Article
Diterbitkan: International Union of Crystallography 2009-06-01

Deskripsi

In the crystal structure of the title compound, C43H46NO13·0.5H2O, the molecule assumes a U-shaped conformation, the terminal benzene rings being approximately parallel and partially overlapped with each other. The molecule contains eight alicyclic and heterocyclic rings. The cyclohexane rings adopt chair conformations, the other three six-membered carbocyclic rings form a bicyclo[2.2.2]octane system with a boat conformation for each six-membered ring, the six-membered heterocyclic ring has a chair conformation and both of the five-membered rings have envelope conformations. The solvent water molecule links with the organic molecule via classic O—H...O and weak C—H...O hydrogen bonding in the crystal structure.