6533b7cffe1ef96bd12585cb
RESEARCH PRODUCT
Crystal structure and absolute configuration of (4S,5R,6S)-4,5,6-trihydroxy-3-methylcyclohex-2-enone (gabosine H)
Valeria SchapiroGaurao D. TibheEnrique PandolfiLeopoldo SuescunMario A. Macíassubject
crystal structurenatural productStereochemistryCrystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch Communicationschemistry.chemical_compoundChain (algebraic topology)Screw axisPerpendicularGeneral Materials ScienceEnvelope (waves)CrystallographyChemistryHydrogen bondAbsolute configurationGeneral ChemistryMitsunobu inversion reactionCondensed Matter Physics0104 chemical sciencesabsolute configurationCrystallographyQD901-999Enonedescription
The absolute configuration of the title compound, determined as 4S,5R,6S on the basis of the synthetic pathway, was confirmed by single-crystal X-ray diffraction. The molecule is formed by a substituted six-membered cyclohexene ring adopting an envelope conformation and substituted by carbonyl, methyl and hydroxyl groups. The supramolecular structure is mainly built by a combination of O—H⋯O and weaker C—H⋯O hydrogen bonds.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2017-03-01 | Acta Crystallographica Section E Crystallographic Communications |