Agrimophol

(6S)-6-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,6-dimethyl-2-[(2R)-2-methylbutanoyl]cyclohexa-2,4-dien-1-one

Also Known As: Agrimophol|J2.774.592J|(6S)-6-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,6-dimethyl-2-[(2R)-2-methylbutanoyl]cyclohexa-2,4-dien-1-one|(6S)-6-((3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl)-3,5-dihydroxy-4,6-dimethyl-2-((2R)-2-methylbutanoyl)cyclohexa-2,4-dien-1-one|2,4-Cyclohexadien-1-one, 6-((2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)-3,5-dihydroxy-4,6-dimethyl-2-(2-methyl-1-oxobutyl)-|6-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methylbutanoyl)cyclohexa-2,4-dien-1-one|6alpha-(2,6-Dihydroxy-4-methoxy-3-methyl-5-butanoylbenzyl)-3,5-dihydroxy-4,6-dimethyl-2-[(R)-2-methylbutanoyl]-2,4-cyclohexadiene-1-one

Molecular Formula	C26H34O8
Molecular Weight	474.22537 g/mol
LogP	4.6
Topological Polar Surface Area	141.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	474.22537
Monoisotopic Mass	474.22537
Heavy Atoms	34
Complexity	887.0

Chemical Identifiers

CAS Number	65792-05-4
SMILES	CCCC(=O)C1=C(C(=C(C(=C1O)C[C@]2(C(=C(C(=C(C2=O)C(=O)[C@H](C)CC)O)C)O)C)O)C)OC
InChIKey	NQGCBDWQKDAGTK-RYZVSIALSA-N