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218290-59-6

218290-59-6 structural image
Product Name: Macrocarpal K
Formula: C28H40O6
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COMPUTED DESCRIPTORS

Molecular Weight 472.6 g/mol
XLogP3 6
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 472.28248899 g/mol
Monoisotopic Mass 472.28248899 g/mol
Topological Polar Surface Area 115 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 740
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
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

5-[(1R)-1-[(1S,4aS,6R,8aS)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde is a natural product found in Eucalyptus globulus with data available.