Agrimol B

(2S)-1-[3,5-bis[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]-2-methylbutan-1-one

Also Known As: Agrimol B|agrimolB|2-DEACETYL WILFORMINE|AGRIMOL B (REFERENCE GRADE)|HY-N0704|J2.452.607K|(2S)-1-[3,5-bis[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]-2-methylbutan-1-one|B1370-464670|(2S)-1-{3,5-bis[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl}-2-methylbutan-1-one|(S)-1,1'-(((2,4,6-Trihydroxy-5-(2-methylbutanoyl)-1,3-phenylene)bis(methylene))bis(2,4-dihydroxy-6-methoxy-5-methyl-3,1-phenylene))bis(butan-1-one)|(2S)-1-[3,5-Bis[[2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-2,4,6-trihydroxyphenyl]-2-methyl-1-butanone|1-Butanone, 1-(3,5-bis((2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)-2,4,6-trihydroxyphenyl)-2-methyl-, (S)-|1-butanone, 1-(3,5-bis((2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)-2,4,6-trihydroxyphenyl)-2-methyl-,(s)-|(2S)-1-[3,5-Bis(2,6-dihydroxy-4-methoxy-3-methyl-5-butanoylbenzyl)-2,4,6-trihydroxyphenyl]-2-methyl-1-butanone|1,1'-({2,4,6-Trihydroxy-5-[(2S)-2-methylbutanoyl]-1,3-phenylene}bis[methylene(2,4-dihydroxy-6-methoxy-5-methyl-3,1-phenylene)])di(butan-1-one)|1,1'-{[2,4,6-Trihydroxy-5-(2-methylbutanoyl)-1,3-phenylene]bis[methylene(2,4-dihydroxy-6-methoxy-5-methyl-3,1-phenylene)]}di(butan-1-one)|1-Butanone,1-[3,5-bis[[2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-2,4,6-trihydroxyphenyl]-2-methyl-,(2S)-

Molecular Formula	C37H46O12
Molecular Weight	682.29895 g/mol
LogP	7.7
Topological Polar Surface Area	211.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	12
Rotatable Bonds	15
Exact Mass	682.29895
Monoisotopic Mass	682.29895
Heavy Atoms	49
Complexity	1030.0

Chemical Identifiers

CAS Number	6339-95-3
SMILES	CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(=C(C(=C2O)C(=O)[C@@H](C)CC)O)CC3=C(C(=C(C(=C3O)C)OC)C(=O)CCC)O)O)O)C)OC
InChIKey	BVLHMPZMQVWDGX-INIZCTEOSA-N