(1ß,2α,3α,7α,11α,13ß)-1,3,7,11-Tetra-acet-oxy-2,13-bis-(benz-yloxy)-21-methyl-19,21-secohetisan-19-al hemi-hydrate.
Acta Crystallogr Sect E Struct Rep Online
; 65(Pt 6): o1432, 2009 May 29.
Article
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| MEDLINE
| ID: mdl-21583273
ABSTRACT
In the crystal structure of the title compound, C(43)H(46)NO(13)·0.5H(2)O, the mol-ecule assumes a U-shaped conformation, the terminal benzene rings being approximately parallel and partially overlapped with each other. The mol-ecule contains eight alicyclic and heterocyclic rings. The cyclo-hexane 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 mol-ecule links with the organic mol-ecule via classic O-Hâ¯O and weak C-Hâ¯O hydrogen bonding in the crystal structure.
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Acta Crystallogr Sect E Struct Rep Online
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2009
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Article