[(2E)-6-(acetyloxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] (E)-2-methylbut-2-enoate

Base Information

• Chemical Name: [(2E)-6-(acetyloxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] (E)-2-methylbut-2-enoate
• CAS No.: 76215-49-1
• Molecular Formula: C22H28O9
• Molecular Weight: 436.4523
• DSSTox Substance ID: DTXSID30422872

Synonyms:Piptocarphin B;DTXSID30422872;76215-49-1

Chemical Property of [(2E)-6-(acetyloxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] (E)-2-methylbut-2-enoate

Chemical Property:

• Vapor Pressure: 2.2E-17mmHg at 25°C
• Boiling Point: 609.2°Cat760mmHg
• Flash Point: 207.8°C
• Density: 1.34g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 436.17333247
• Heavy Atom Count: 31
• Complexity: 914

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Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1CC(C2(CCC(O2)(C=C3C1=C(C(=O)O3)COC(=O)C)C)O)(C)O
• Isomeric SMILES: C/C=C(\C)/C(=O)OC1CC(C2(CCC(O2)(/C=C/3\C1=C(C(=O)O3)COC(=O)C)C)O)(C)O

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