Phlegmacin

Base Information

• Chemical Name: Phlegmacin
• CAS No.: 40501-61-9
• Molecular Formula: C32H30O10
• Molecular Weight: 574.57
• DSSTox Substance ID: DTXSID10433643
• Nikkaji Number: J18.404G
• Wikidata: Q82247840
• Mol file: 40501-61-9.mol

Synonyms:40501-61-9;Phlegmacin;AGN-PC-0MWSIS;DTXSID10433643

Chemical Property of Phlegmacin

Chemical Property:

• PSA: 173.98000
• LogP: 4.25940
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 574.18389715
• Heavy Atom Count: 42
• Complexity: 1070

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC2=C(C(=O)C1)C(=C3C(=C2)C=C(C(=C3O)C4=C5CC(CC(=O)C5=C(C6=C4C=C(C=C6O)OC)O)(C)O)OC)O)O

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