SWERTIANOLIN

Base Information

• Chemical Name: SWERTIANOLIN
• CAS No.: 23445-00-3
• Molecular Formula: C20H20 O11
• Molecular Weight: 436.372
• Nikkaji Number: J1.717.922E
• Wikidata: Q76309628
• Mol file: 23445-00-3.mol

Synonyms:Swertianolin(8CI); Bellidifolin 8-O-b-D-glucopyranoside; Bellidifolin-8-O-glucoside

Chemical Property of SWERTIANOLIN

Chemical Property:

• Melting Point: 198-200℃
• Boiling Point: 812.7°Cat760mmHg
• PKA: 6.57±0.20(Predicted)
• Flash Point: 290°C
• PSA: 179.28000
• Density: 1.668g/cm³
• LogP: -0.45530
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 436.10056145
• Heavy Atom Count: 31
• Complexity: 647

Purity/Quality:

≥98% ^*data from raw suppliers

Swertianolin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison.
• Hazard Codes: A poison.:
• Safety Statements: A poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapo

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C=CC(=C4O2)O)O
• Isomeric SMILES: COC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C=CC(=C4O2)O)O
• Uses: Natural product. Swertianolin is a xanthone isolated from Gentianella amarella ssp. acuta plant with some acetylcholinesterase and monoamine oxidase inhibitory activities.