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NMR and ESIMS data for bisabolane-type sesquiterpenoids
Shinji Ohta1, Yasunori Yuasa1, Nobuwa Aoki2
1Graduate School of Integrated Sciences for Life, Hiroshima University, 1-7-1 Kagamiyama, Higashi-Hiroshima, 739-8521, Japan.
Data in Brief
|December 31, 2019
Summary
Researchers identified novel norbisabolane and bisabolane sesquiterpenoids, named ashitabaol B-D, from Angelica keiskei seeds. This study provides detailed spectroscopic data for these unique compounds.
Area of Science:
- Natural Product Chemistry
- Organic Chemistry
- Pharmacognosy
Background:
- Angelica keiskei seeds are a source of bioactive compounds.
- Sesquiterpenoids, including norbisabolane and bisabolane types, exhibit diverse biological activities.
- The chemical diversity of A. keiskei secondary metabolites remains an active area of research.
Purpose of the Study:
- To report the isolation and structural elucidation of three new sesquiterpenoids from Angelica keiskei seeds.
- To provide comprehensive spectroscopic data (NMR and ESIMS) for the newly identified compounds.
- To contribute to the understanding of the chemical constituents of Angelica keiskei.
Main Methods:
- Extraction and isolation of sesquiterpenoids from Angelica keiskei seeds.
- 1D and 2D Nuclear Magnetic Resonance (NMR) spectroscopy for structural determination.
- Electrospray Ionization Mass Spectrometry (ESIMS) for molecular weight confirmation.
Main Results:
- Isolation and characterization of three previously undescribed sesquiterpenoids: ashitabaol B, ashitabaol C, and ashitabaol D.
- Detailed assignment of proton and carbon resonances through NMR spectroscopy.
- Confirmation of molecular formulas and masses via ESIMS.
Conclusions:
- The seeds of Angelica keiskei yield novel norbisabolane and bisabolane sesquiterpenoids.
- Ashitabaol B-D represent new additions to the known sesquiterpenoid chemical space.
- The provided spectroscopic data will aid in the identification and further investigation of related compounds.
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