3-Acetyl-1,2,6,7-tetrahydroxy-4a-{[5-hydroxy-5-(hydroxyacetyl)-6-methyloxan-2-yl]oxy}-2,4a,12,12a-tetrahydrotetracen-5(1H)-one

Base Information

• Chemical Name: 3-Acetyl-1,2,6,7-tetrahydroxy-4a-{[5-hydroxy-5-(hydroxyacetyl)-6-methyloxan-2-yl]oxy}-2,4a,12,12a-tetrahydrotetracen-5(1H)-one
• CAS No.: 30361-37-6
• Molecular Formula: C28H30 O11
• Molecular Weight: 542.53
• NSC Number: 102812
• DSSTox Substance ID: DTXSID10952708
• Mol file: 30361-37-6.mol

Synonyms:pillaromycin A

Chemical Property of 3-Acetyl-1,2,6,7-tetrahydroxy-4a-{[5-hydroxy-5-(hydroxyacetyl)-6-methyloxan-2-yl]oxy}-2,4a,12,12a-tetrahydrotetracen-5(1H)-one

Chemical Property:

• Vapor Pressure: 9.23E-29mmHg at 25°C
• Boiling Point: 824.2°Cat760mmHg
• Flash Point: 275.2°C
• PSA: 191.05000
• Density: 1.58g/cm³
• LogP: 0.42970
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 542.17881177
• Heavy Atom Count: 39
• Complexity: 1040

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(CCC(O1)OC23C=C(C(C(C2CC4=C(C3=O)C(=C5C(=C4)C=CC=C5O)O)O)O)C(=O)C)(C(=O)CO)O

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