Calycanthoside

Base Information

• Chemical Name: Calycanthoside
• CAS No.: 483-91-0
• Molecular Formula: C₁₇H₂₀O₁₀
• Molecular Weight: 384.34
• UNII: X9UV2YMM9C
• DSSTox Substance ID: DTXSID001031715
• Nikkaji Number: J292.918J
• Wikipedia: Isofraxidin-7-glucoside
• Wikidata: Q17324754
• Mol file: 483-91-0.mol

Synonyms:Calycanthoside;483-91-0;ISOFRAXIDIN-7-GLUCOSIDE;Isofraxidin 7-O-beta-D-Glucoside;X9UV2YMM9C;Isofraxidin beta-D-glucoside;6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;6,8-Dimethoxy-7-(beta-D-glucopyranosyloxy)coumarin;2H-1-Benzopyran-2-one, 7-(beta-D-glucopyranosyloxy)-6,8-dimethoxy-;7-(beta-D-Glucopyranosyloxy)-6,8-dimethoxy-2H-1-benzopyran-2-one;Isofraxidin glucoside;UNII-X9UV2YMM9C;DTXSID001031715;HY-N3524;AKOS032961731;CS-0023735;E88638;Q17324754;NCGC00385567-01!6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

Chemical Property of Calycanthoside

Chemical Property:

• Melting Point: 204 °C
• Boiling Point: 675.0±55.0 °C(Predicted)
• PKA: 12.65±0.70(Predicted)
• Density: 1.524±0.06 g/cm3(Predicted)
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 384.10564683
• Heavy Atom Count: 27
• Complexity: 554

Purity/Quality:

Analysis control,HPLC≥95% ^*data from raw suppliers

Isofraxidin7-O-β-D-Glucoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)OC3C(C(C(C(O3)CO)O)O)O
• Isomeric SMILES: COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
• Uses: Isofraxidin 7-O-β-D-Glucoside is a derivative of Isofraxidin (I817600) and a chemical constituent found in the aerial parts of Artemisia selengensis that can potentially exhibit interleukin 6 (IL-6) inhibitory activity.