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4970-26-7

4970-26-7 structural image
Product Name: 9,10-Dihydro-8,8-dimethyl-9α,10α-bis[(Z)-1-oxo-2-methyl-2-butenyloxy]-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
Formula: C24H26O7
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COMPUTED DESCRIPTORS

Molecular Weight 426.5 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 6
Exact Mass 426.16785316 g/mol
Monoisotopic Mass 426.16785316 g/mol
Topological Polar Surface Area 88.1 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 835
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 2
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

[8,8-Dimethyl-9-(2-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 2-methylbut-2-enoate is a natural product found in Arthrinium and Angelica anomala with data available.