Filicin

2-butanoyl-4-[[3-butanoyl-5-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one

Also Known As: Filicin|Filixic acid BBB|Filixic acid|Filixsaeure|Filixsaeure [German]|Filicin (Filixic acid BBB)|FILIXIC ACIDS BBB [MI]|2-butanoyl-4-[[3-butanoyl-5-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one|Butyrophenone, 3',5'-bis((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',4',6'-trihydroxy-|2,5-Cyclohexadien-1-one, 2,2'-((2,4,6-trihydroxy-5-(1-oxobutyl)-1,3-phenylene)bis(methylene))bis(3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-|2,2'-((2,4,6-Trihydroxy-5-(1-oxobutyl)-1,3-phenylene)bis(methylene))bis(3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)cyclohexa-2,5-dien-1-one|BBB|Phlorobutyrophenone, 3',5'-bis(5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-|2,2 -[[2,4,6-Trihydroxy-5-(1-oxobutyl)-1,3-phenylene]bis(methylene)]bis[3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one]|2,2'-((2,4,6-TRIHYDROXY-5-(1-OXOBUTYL)-1,3-PHENYLENE)BIS(METHYLENE))BIS(3,5-DIHYDROXY-4,4-DIMETHYL-6-(1-OXOBUTYL)-2,5-CYCLOHEXADIEN-1-ONE)|2,2'-[[2,4,6-trihydroxy-5-(1-oxobutyl)-1,3-phenylene]bis(methylene)]bis[3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)cyclohexa-2,5-dien-1-one|2,2a(2)-[[2,4,6-Trihydroxy-5-(1-oxobutyl)-1,3-phenylene]bis(methylene)]bis[3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one]|2,5-Cyclohexadien-1-one, 2,2'-[[2,4,6-trihydroxy-5-(1-oxobutyl)-1,3-phenylene]bis(methylene)]bis[3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-|2-butanoyl-4-[[3-butanoyl-5-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxo-cyclohexa-1,5-dien-1-yl)methyl]-2,4,6-trihydroxy-phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one|2-butanoyl-6-({3-butanoyl-5-[(5-butanoyl-2,4-dihydroxy-3,3-dimethyl-6-oxocyclohexa-1,4-dien-1-yl)methyl]-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one|4,4'-((5-Butanoyl-2,4,6-trihydroxy-1,3-phenylene)bis(methylene))bis(2-butanoyl-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one)|4,4'-[(5-Butanoyl-2,4,6-trihydroxy-1,3-phenylene)bis(methylene)]bis(2-butanoyl-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one)|PHLOROBUTYROPHENONE, 3',5'-BIS((5-BUTYRYL-2,4-DIHYDROXY-3,3-DIMETHYL-6-OXO-1,4-CYCLOHEXADIEN-1-YL)METHYL)-

Molecular Formula	C36H44O12
Molecular Weight	668.28326 g/mol
LogP	4.9
Topological Polar Surface Area	227.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	12
Rotatable Bonds	13
Exact Mass	668.28326
Monoisotopic Mass	668.28326
Heavy Atoms	48
Complexity	1400.0

Chemical Identifiers

CAS Number	4482-83-1
SMILES	CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O)CC3=C(C(C(=O)C(=C3O)C(=O)CCC)(C)C)O)O
InChIKey	FRTCWDLFHSMTNW-UHFFFAOYSA-N