The crystal and molecular structures of tetronolide.
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概要
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Tetronolide is an aglycone moiety of novel antitumor antibiotics tetrocarcins. The space group of the crystal is P2<SUB>1</SUB>2<SUB>1</SUB>2<SUB>1</SUB> with <I>a</I>=20.138(3), <I>b</I>=22.680(3), <I>c</I>=7.848(1) Å and <I>Z</I>=4. The structure was solved by direct methods and refined by the block-diagonal least-squares using 3577 independent reflexions. The final <I>R</I> value was 0.085. It is established that tetronolide is [1R-(1R<SUP>*</SUP>,3R<SUP>*</SUP>,4R<SUP>*</SUP>,4aR<SUP>*</SUP>,6aR<SUP>*</SUP>,7E,10R<SUP>*</SUP>,11E,12aS<SUP>*</SUP>,13R<SUP>*</SUP>,16aR<SUP>*</SUP>,20aR<SUP>*</SUP>,20bS<SUP>*</SUP>)]-1,2,3,4,4a,6a,9,10,12a,13,16,20,20a,20b-tetradecahydro-4,10,13,21-tetrahydroxy-1,3,7,11,20a-pentamethyl-18,20-dioxo-18<I>H</I>-16a,19-metheno-16a<I>H</I>-benzo[<I>b</I>]naphth[2,1-<I>j</I>]oxacyclotetradecin-15-carbaldehyde or its enantiomer.