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989-54-8

989-54-8 structural image
Product Name: 2-[[2,4-Dihydroxy-6-methoxy-5-methyl-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one
Formula: C25H32O8
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COMPUTED DESCRIPTORS

Molecular Weight 460.5 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 9
Exact Mass 460.20971797 g/mol
Monoisotopic Mass 460.20971797 g/mol
Topological Polar Surface Area 141 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 853
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

p-Aspidin is a natural product found in Dryopteris aitoniana with data available.