Arthrinone

Base Information

• Chemical Name: Arthrinone
• CAS No.: 162112-39-2
• Molecular Formula: C13H12 O7
• DSSTox Substance ID: DTXSID701119429
• Nikkaji Number: J640.546K
• Wikidata: Q77566634
• Metabolomics Workbench ID: 103572
• ChEMBL ID: CHEMBL2036280

Synonyms:Arthrinone;CHEMBL2036280;DTXSID701119429;162112-39-2;1H,3H-3a,9a-Epoxynaphtho[2,3-c]furan-4(9H)-one, 3,5,9-trihydroxy-7-methoxy-, (3R,3aR,9R,9aS)-;3beta,5,9beta-Trihydroxy-7-methoxy-3aalpha,9aalpha-epoxy-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-4-one

Chemical Property of Arthrinone

Chemical Property:

• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 280.05830272
• Heavy Atom Count: 20
• Complexity: 468

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=C(C(=C1)O)C(=O)C34C(OCC3(C2O)O4)O
• Isomeric SMILES: COC1=CC2=C(C(=C1)O)C(=O)[C@]34[C@@H](OC[C@@]3([C@@H]2O)O4)O

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