Helihumulone

Base Information

• Chemical Name: Helihumulone
• CAS No.: 72247-83-7
• Molecular Formula: C₂₆H₃₂O₅
• Molecular Weight: 424.537
• DSSTox Substance ID: DTXSID20558437
• Metabolomics Workbench ID: 27067
• Nikkaji Number: J322.815K
• Wikidata: Q82440742
• Mol file: 72247-83-7.mol

Synonyms:Helihumulone;72247-83-7;DTXSID20558437;LMPK12120592;2-dihydrocinnamoyl-3,5-dihydroxy-6-methoxy-4,6-di-c-prenylcyclohexa-2,4-dienone;3,5-Dihydroxy-6-methoxy-4,6-bis(3-methylbut-2-en-1-yl)-2-(3-phenylpropanoyl)cyclohexa-2,4-dien-1-one

Chemical Property of Helihumulone

Chemical Property:

• PSA: 83.83000
• LogP: 5.49300
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 424.22497412
• Heavy Atom Count: 31
• Complexity: 813

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C(C(C(=O)C(=C1O)C(=O)CCC2=CC=CC=C2)(CC=C(C)C)OC)O)C

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