Deoxyhumulone structure

Deoxyhumulone

3-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]butan-1-one

Also Known As: Deoxyhumulone|4-Deoxyhumulone|Desoxyhumulone|4-Deoxy-humulone|Humulone, 4-deoxy-|diprenylphlorisovalerophenone|DEOXYHUMULONE, 4-|3,5-diprenylphlorisovalerophenone|3,5-Bis(3-methyl-2-butenyl)phloroisovalerophenone|3,5-Bis(3-methyl-2-butenyl)phlorisovalerophenone|3-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]butan-1-one|2,4-Diprenyl-6-(3-methylbutanoyl)benzene-1,3,5-triol|3-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]butan-1-one|1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3,5-bis(3-methyl-2-butenyl)phenyl)-|2-(3-Methyl-1-oxobutyl)-4,6-bis(3-methyl-2-butenyl)-1,3,5-benzenetriol|{3,5-bis(3-methyl-2-butenyl)-2,4,6-trihydroxyphenyl} (2-methylpropyl) ketone|1-BUTANONE, 3-METHYL-1-(2,4,6-TRIHYDROXY-3,5-BIS(3-METHYL-2-BUTEN-1-YL)PHENYL)-|1-Butanone, 3-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl]-|3-METHYL-1-(2,4,6-TRIHYDROXY-3,5-BIS(3-METHYL-2-BUTEN-1-YL)PHENYL)-1-BUTANONE|3-methyl-1-(2,4,6-trihydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl)butan-1-one|3-methyl-1-(2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl)butan-1-one|3-Methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl]-1-butanone|3-Methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methyl-2-butenyl)phenyl]-1-butanone, 9CI

CAS: 4374-93-0
Molecular Formula C21H30O4
Molecular Weight 346.21442 g/mol
LogP 5.0496
Topological Polar Surface Area 77.76 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
Rotatable Bonds 7
Exact Mass 346.21442
Monoisotopic Mass 346.21442
Heavy Atoms 25
Complexity 654.0916

Chemical Identifiers

CAS Number 4374-93-0
SMILES CC(C)CC(=O)C1=C(C(=C(C(=C1O)CC=C(C)C)O)CC=C(C)C)O

Product Overview

Deoxyhumulone (CAS 4374-93-0), with molecular formula C21H30O4 and molecular weight 346.21442 g/mol. IUPAC: 3-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]butan-1-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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