7,11,12-Triacetoxycoumestan

Base Information

• Chemical Name: 7,11,12-Triacetoxycoumestan
• CAS No.: 2074-56-8
• Molecular Formula: C21H14O9
• Molecular Weight: 410.33
• DSSTox Substance ID: DTXSID101186343
• Nikkaji Number: J13.760J
• Metabolomics Workbench ID: 44456
• Mol file: 2074-56-8.mol

Synonyms:7,11,12-Triacetoxycoumestan;2074-56-8;Stimol 410;Stimol-410;CBMicro_025267;Oprea1_144571;Oprea1_845231;DTXSID101186343;HMS1607I05;C21H14O9;CCG-12245;STK751971;AKOS000583028;BIM-0025171.P001;6-oxo-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triyl triacetate;3,8,9-Tris(acetyloxy)-6H-benzofuro[3,2-c][1]benzopyran-6-one;3,8-bis(acetyloxy)-6-oxo-6H-[1]benzofuro[3,2-c]chromen-9-yl acetate;5,14-bis(acetyloxy)-9-oxo-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11,13,15-heptaen-13-yl acetate

Chemical Property of 7,11,12-Triacetoxycoumestan

Chemical Property:

• PSA: 122.25000
• LogP: 3.46830
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 410.06378202
• Heavy Atom Count: 30
• Complexity: 734

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC2=C(C=C1)C3=C(C4=CC(=C(C=C4O3)OC(=O)C)OC(=O)C)C(=O)O2

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