Crystal structure of Staudtienic acid, a diterpenoid from Staudtia kamerunensis Warb. (Myristicaceae).
Jordan Tonga LembePrecious Mokgadi MphahleleMichael Hermann Kamdem KengnePangaman JiyaneMarthe Carine Djuidje FotsingCharmaine ArdeneEdwin Mpho MmutlaneDerek Tantoh NdintehPublished in: Acta crystallographica. Section E, Crystallographic communications (2024)
This title compound, C 20 H 26 O 2 , was isolated from the benzene fraction of the stem bark of Staudtia kamerunensis Warb. (Myristicaceae) using column chromatography techniques over silica gel. The compound was fully characterized by single-crystal X-ray diffraction, one and two-dimensional NMR spectroscopy, IR and MS spectrometry. The compound has two fused cyclo-hexane rings attached to a benzene ring, with a carb-oxy-lic acid on C-4. This cyclo-hexene ring has a chair conformation while the other adopts a half-chair conformation. The benzene ring is substituted with a propenyl moiety. The structure is characterized by inter-molecular O-H⋯O hydrogen bonds, two C-H⋯O intra-molecular hydrogen bonds and two C-H⋯π inter-actions. The mol-ecular structure confirms previous studies carried out by spectroscopic techniques.
Keyphrases
- mass spectrometry
- molecular docking
- high resolution
- crystal structure
- liquid chromatography
- molecular dynamics simulations
- multiple sclerosis
- solid phase extraction
- high speed
- tandem mass spectrometry
- ms ms
- high performance liquid chromatography
- electron microscopy
- magnetic resonance imaging
- dual energy
- transition metal