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110382-43-9

110382-43-9 structural image
Product Name: cordatin
Formula: C21H26O6
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COMPUTED DESCRIPTORS

Molecular Weight 374.4 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 374.17293854 g/mol
Monoisotopic Mass 374.17293854 g/mol
Topological Polar Surface Area 75 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 645
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
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

methyl (2S,4aS,6aR,7R,10aR,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-1,2,4a,5,6,7,10,10a-octahydrobenzo[f]isochromene-7-carboperoxoate is a natural product found in Aparisthmium cordatum and Croton polyandrus with data available.