Dynamic nature of the ligustilide complex

J Nat Prod. 2008 Sep;71(9):1604-11. doi: 10.1021/np800137n. Epub 2008 Sep 10.

Abstract

Monomeric phthalides such as Z-ligustilide (1) and Z-butylidenephthalide (2) are major constituents of medicinal plants of the Apiaceae family. While 1 has been associated with a variety of observed biological effects, it is also known for its instability and rapid chemical degradation. For the purpose of isolating pure 1 and 2, a gentle and rapid two-step countercurrent isolation procedure was developed. From a supercritical CO2 fluid extract of Angelica sinensis roots, the phthalides were isolated with high GC-MS purities of 99.4% for 1 and 98.9% for 2 and consistently lower qHNMR purities of 98.1% and 96.4%, respectively. Taking advantage of molarity-based qHNMR methodology, a time-resolved study of the dynamic changes and residual complexity of pure 1 was conducted. GC-MS and (qH)NMR analysis of artificially degraded 1 provided evidence for the phthalide degradation pathways and optimized storing conditions. Parallel qHNMR analysis led to the recognition of variations in time- and process-dependent sample purity and has impact on the overall assessment of time-dependent changes in complex natural products systems. The study underscores the importance of independent quantitative monitoring as a prerequisite for the biological evaluation of labile natural products such as monomeric phthalides.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • 4-Butyrolactone / analogs & derivatives*
  • 4-Butyrolactone / chemistry
  • 4-Butyrolactone / isolation & purification
  • Angelica sinensis / chemistry*
  • Molecular Structure
  • Nuclear Magnetic Resonance, Biomolecular
  • Phthalic Anhydrides / chemistry*
  • Phthalic Anhydrides / isolation & purification
  • Plant Roots / chemistry
  • Plants, Medicinal / chemistry
  • Stereoisomerism

Substances

  • Phthalic Anhydrides
  • ligustilide
  • 4-Butyrolactone
  • butylidenephthalide