Total Synthesis and Structural Revision of (−)-Garvensintriol

A 25.6 MB dataset from figshare, authored by Yifei Zhang and last updated on June 3, 2026, documents the stereoselective total synthesis and structural revision of the cytotoxic styryllactone (−)-garvensintriol. The work used single-crystal X-ray diffraction and DFT calculations to revise the stereochemistry and lactone ring size of the natural product. The revised structure was confirmed by synthesis and found to be identical to another known compound, (−)-3-deoxycardiobutanolide.

Use Cases

• Validate computational chemistry methods based on the reported DFT calculations and X-ray diffraction data.
• Study structure-activity relationships for cytotoxic styryllactones based on the revised molecular structure.
• Cross-reference spectral data for natural product identification based on the reported match with (−)-3-deoxycardiobutanolide.
• Benchmark synthetic routes to complex γ-butyrolactone natural products based on the described total synthesis.

Strengths

• Dataset size is 25.6 MB, indicating it likely contains detailed supplementary information.
• The structural revision is supported by multiple analytical techniques: total synthesis, X-ray diffraction, and DFT calculations.
• The work resolves a structural ambiguity by identifying two natural products as identical.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

figshare

Collection Method

Likely contains experimental and computational data from the described chemical synthesis and analysis.

Freshness

Last updated 2026-06-03 09:49:26; freshness should be verified.