3,6-Bis(acetyloxy)-11,12-dihydroxy-5-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl acetate

Base Information

• Chemical Name: 3,6-Bis(acetyloxy)-11,12-dihydroxy-5-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl acetate
• CAS No.: 112209-53-7
• Molecular Formula: C24H18O10
• DSSTox Substance ID: DTXSID901159974
• Nikkaji Number: J517.054K
• Metabolomics Workbench ID: 46652

Synonyms:BL IV;B1-IV;CHEBI:168773;DTXSID901159974;1,2,4,7,8-Dibenzofuranpentol, 3-(4-hydroxyphenyl)-, 1,2,4-triacetate;[1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzouran-4-yl] acetate;112209-53-7;3,6-bis(acetyloxy)-11,12-dihydroxy-5-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl acetate

Chemical Property of 3,6-Bis(acetyloxy)-11,12-dihydroxy-5-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl acetate

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 466.08999677
• Heavy Atom Count: 34
• Complexity: 778

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• Canonical SMILES: CC(=O)OC1=C(C(=C(C2=C1OC3=CC(=C(C=C32)O)O)OC(=O)C)OC(=O)C)C4=CC=C(C=C4)O

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