(2E)-6-acetyl-2-(1-aminoethylidene)-9-hydroxy-8,9b-dimethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydibenzofuran-1,3-dione

Base Information

• Chemical Name: (2E)-6-acetyl-2-(1-aminoethylidene)-9-hydroxy-8,9b-dimethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydibenzofuran-1,3-dione
• CAS No.: 71368-55-3
• Molecular Formula: C24H27NO11
• Molecular Weight: 505.4713
• NSC Number: 298880
• DSSTox Substance ID: DTXSID20418587

Synonyms:NSC298880;71368-55-3;DTXSID20418587;NSC-298880

Chemical Property of (2E)-6-acetyl-2-(1-aminoethylidene)-9-hydroxy-8,9b-dimethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydibenzofuran-1,3-dione

Chemical Property:

• Vapor Pressure: 7.23E-29mmHg at 25°C
• Boiling Point: 825.6°C at 760 mmHg
• Flash Point: 453.1°C
• Density: 1.61g/cm³
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 505.15841068
• Heavy Atom Count: 36
• Complexity: 1020

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(C(=C1OC3C(C(C(C(O3)CO)O)O)O)C(=O)C)OC4=CC(=O)C(=C(C)N)C(=O)C42C)O
• Isomeric SMILES: CC1=C(C2=C(C(=C1OC3C(C(C(C(O3)CO)O)O)O)C(=O)C)OC4=CC(=O)/C(=C(/C)\N)/C(=O)C42C)O

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