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Researchers isolated baicalin, a flavonoid glycoside, from an in vitro hairy root culture of Scutellaria baicalensis and confirmed its molecular structure using X-ray crystallography and multiple NMR spectroscopy techniques, including 1H, 13C, COSY, HSQC, and HMBC analyses. The combined analytical data, encompassing chemical shifts, signal multiplicities, integral intensities, and spin-spin coupling constants, were fully consistent with the known structure of baicalin. Minor aliphatic impurities were detected but accounted for no more than 5 mol%, indicating a high-purity isolate.
Why it matters
Baicalin is a biologically active compound with documented anti-inflammatory, antioxidant, and antiviral properties, and reliable structural characterization from controlled in vitro cultures supports its potential use in pharmaceutical and nutraceutical development without dependence on wild plant harvesting.
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This study presents the structural verification of baicalin isolated from a hydroethanolic extract of an in vitro Scutellaria baicalensis root culture using Xray diffraction analysis and a set of NMR spectroscopy techniques. The crystalline molecular structure of the sample was found to correspond to baicalin. The 1H, 13C{1H}, 2D 1H1HCOSY, 1H13CHSQC, 1H13CHMBC spectra confirmed that the chemical shifts, signal multiplicities, integral intensities, and spinspin coupling constants were fully consistent with the structure of the target compound. Minor impurity signals were detected in the aliphatic region of the spectra, with a total content not exceeding 5 mol%. These results confirm the high purity and structural individuality of baicalin, a biologically active flavonoid glycoside of considerable interest.
Source: Molecular and spatial characterization of baicalin from Scutellaria baicalensis hairy root culture