(4R,4aR,6S,7S,7aS)-6-Hydroxy-7-hydroxymethyl-4-methylperhydrocyclopenta[c]pyran-1-one chloroform solvate fromValeriana laxiflora
| Autor: | Jian-Qiao Gu, Barbara N. Timmermann, Smriti Khera, Michael D. Carducci |
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| Rok vydání: | 2004 |
| Předmět: |
Models
Molecular chemistry.chemical_classification Chloroform Plant Stems Stereochemistry Absolute configuration Hydrogen Bonding Cyclopentanes General Medicine Crystallography X-Ray Plant Roots General Biochemistry Genetics and Molecular Biology Plant Leaves chemistry.chemical_compound Valerian chemistry Pyran Solvents Hydroxymethyl Valeriana laxiflora Lactone Pyrans |
| Zdroj: | Acta Crystallographica Section C Crystal Structure Communications. 60:o773-o775 |
| ISSN: | 0108-2701 |
| DOI: | 10.1107/s0108270104021511 |
| Popis: | The structure of an iridolactone isolated from Valeriana laxiflora was established as (4R,4aR,6S,7S,7aS)-6-hydroxy-7-hydroxymethyl-4-methylperhydrocyclopenta[c]pyran-1-one chloroform solvate, C(10)H(16)O(4).CHCl(3). The two rings are cis-fused. The delta-lactone ring adopts a slightly twisted half-chair conformation with approximate planarity of the lactone group and the cyclopentane ring adopts an envelope conformation. The hydroxy group, the hydroxymethyl group and the methyl group all have beta orientations. The absolute configuration was determined using anomalous dispersion data enhanced by the adventitious inclusion of a chloroform solvent molecule. Hydrogen bonding, crystal packing and ring conformations are discussed in detail. |
| Databáze: | OpenAIRE |
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