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73030-71-4

73030-71-4 structural image
Product Name: Atractylenolide III
Formula: C15H20O3
Synonyms: 8β-Hydroxyasterolide;Codonolactone
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form White to off-white powder or crystals
Solubility In methanol, 1 mg/mL, clear, colorless
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition Hazardous decomposition products formed under fire conditions. - Carbon oxides

COMPUTED DESCRIPTORS

Molecular Weight 248.32 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 248.14124450 g/mol
Monoisotopic Mass 248.14124450 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 476
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
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

Atractylenolide III is a naphthofuran. It has a role as a metabolite.