Brevelin A

Base Information

• Chemical Name: Brevelin A
• CAS No.: 16503-32-5
• Molecular Formula: C20H26 O5
• Molecular Weight: 346.42
• UNII: EKT624Z4TZ
• ChEMBL ID: CHEMBL2262842
• DSSTox Substance ID: DTXSID801318484
• Nikkaji Number: J39.265K
• Wikidata: Q105146295
• Mol file: 16503-32-5.mol

Synonyms:brevilin A

Chemical Property of Brevelin A

Chemical Property:

• Boiling Point: 494.0±45.0 °C(Predicted)
• PSA: 69.67000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 2.84330
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 346.17802393
• Heavy Atom Count: 25
• Complexity: 676

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Brevilin A phyproof? Reference Substance ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1C2C(C(=O)OC2CC(C3C1(C(=O)C=C3)C)C)C
• Isomeric SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@@H]2[C@@H](C(=O)O[C@@H]2C[C@H]([C@H]3[C@]1(C(=O)C=C3)C)C)C
• Uses: Brevilin A can be used using a selective extraction method to obtain natural substances, and can also be applied to prepare derivatives to use for anti-cancer activity.