Isokotanin B

Base Information

• Chemical Name: Isokotanin B
• CAS No.: 154160-09-5
• Molecular Formula: C23H20 O8
• DSSTox Substance ID: DTXSID401017787
• Nikkaji Number: J825.400A
• Wikidata: Q75059996
• Metabolomics Workbench ID: 118137
• Mol file: 154160-09-5.mol

Synonyms:Isokotanin B;154160-09-5;6-(4,7-dimethoxy-5-methyl-2-oxochromen-6-yl)-7-hydroxy-4-methoxy-5-methylchromen-2-one;(+)-7-hydroxy-4,4',7'-trimethoxy-5,5'-dimethyl-[6,6'-bi-2H-1-benzopyran]-2,2'-dione;DTXSID401017787;HY-117934;CS-0068619

Chemical Property of Isokotanin B

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 424.11581759
• Heavy Atom Count: 31
• Complexity: 788

Purity/Quality:

>95% by HPLC ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=CC2=C1C(=CC(=O)O2)OC)O)C3=C(C=C4C(=C3C)C(=CC(=O)O4)OC)OC

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