Acrofolione A

1-[7-[1-[3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-methylbutyl]-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone

Also Known As: Acrofolione A|NP5304|NCI60_040248|1-[7-[1-[3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-methylbutyl]-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone|1-(7-(1-(3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl)-3-methylbutyl)-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl)ethanone

Molecular Formula	C32H42O9
Molecular Weight	570.2829 g/mol
LogP	6.5
Topological Polar Surface Area	154.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	9
Rotatable Bonds	10
Exact Mass	570.2829
Monoisotopic Mass	570.2829
Heavy Atoms	41
Complexity	957.0

Chemical Identifiers

CAS Number	820975-61-9
SMILES	CC(C)CC(C1=C(C(=C(C(=C1O)CC=C(C)C)OC)C(=O)C)O)C2=C3C(=C(C(=C2O)C(=O)C)O)CC(O3)C(C)(C)O
InChIKey	OUNVYFMBWBYCMV-UHFFFAOYSA-N