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24502-78-1

24502-78-1 structural image
Product Name: ACETYLSHIKONIN
Formula: C18H18O6
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COMPUTED DESCRIPTORS

Molecular Weight 330.3 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 330.11033829 g/mol
Monoisotopic Mass 330.11033829 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 599
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

(R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl acetate is a natural product found in Echium italicum, Echium plantagineum, and other organisms with data available.