Peganetin

Base Information

• Chemical Name: Peganetin
• CAS No.: 109517-74-0
• Molecular Formula: C42H54 O25
• Molecular Weight: 958.8632
• DSSTox Substance ID: DTXSID00911228
• Wikidata: Q82881319
• Mol file: 109517-74-0.mol

Synonyms:PEGANETIN;109517-74-0;DTXSID00911228;5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-acetylhexopyranosyl-(1->2)-[6-deoxyhexopyranosyl-(1->4)]-[hexopyranosyl-(1->6)]hexopyranoside

Chemical Property of Peganetin

Chemical Property:

• Boiling Point: 1178.8°Cat760mmHg
• Flash Point: 348.5°C
• Density: 1.68g/cm³
• XLogP3: -3.6
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 25
• Rotatable Bond Count: 15
• Exact Mass: 958.29541720
• Heavy Atom Count: 67
• Complexity: 1670

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2O)OC3C(C(C(C(O3)COC(=O)C)O)O)O)OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC=C(C=C6)OC)O)COC7C(C(C(C(O7)CO)O)O)O)O)O)O

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