Adhumulone

3,5,6-trihydroxy-2-(2-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one

Also Known As: Adhumulone|Phloroglucinol Impurity V|J1.237.911K|3,5,6-trihydroxy-2-(2-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one|3,5,6-trihydroxy-2-(2-methylbutanoyl)-4,6-bis(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one|2,4-Cyclohexadien-1-one,3,5,6-trihydroxy-2,6-bis(3-methyl-2-buten-1-yl)-4-(2-methyl-1-oxobutyl)-|2,3,5-Trihydroxy-2,4-diprenyl-6-(1-oxo-2-methylbutyl)-3,5-cyclohexadiene-1-one|2-(2-Methylbutyryl)-3,5,6-trihydroxy-4,6-bis(3-methyl-2-butenyl)-2,4-cyclohexadien-1-one|3,4,5-Trihydroxy-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxobutyl)-2,5-cyclohexadiene-1-one|3,4,5-trihydroxy-2,4-bis(3-methylbut-2-en-1-yl)-6-(2-methylbutanoyl)cyclohexa-2,5-dien-1-one|3,5,6-Trihydroxy-2,6-bis(3-methyl-2-butenyl)-4-(2-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one|3,5,6-trihydroxy-2,6-bis(3-methylbut-2-en-1-yl)-4-(2-methylbutanoyl)cyclohexa-2,4-dien-1-one|3,5,6-Trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(2-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one|3,5,6-TRIHYDROXY-4,6-BIS(3-METHYLBUT-2-EN-1-YL)-2-(2-METHYLBUTANOYL)CYCLOHEXA-2,4-DIEN-1-ONE|3,5,6-trihydroxy-4,6-bis(3-methylbut-2-en-1-yl)-2-(2-methylbutanoyl)cyclohexa-2,4-dienone

Molecular Formula	C21H30O5
Molecular Weight	362.20932 g/mol
LogP	4.3
Topological Polar Surface Area	94.8 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	362.20932
Monoisotopic Mass	362.20932
Heavy Atoms	26
Complexity	713.0

Chemical Identifiers

CAS Number	36760-20-0
SMILES	CCC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O
InChIKey	LDXMPKMQIKGJFN-UHFFFAOYSA-N