73030-71-4
Product Name:
Atractylenolide III
Formula:
C15H20O3
Synonyms:
8β-Hydroxyasterolide;Codonolactone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Color/Form | White to off-white powder or crystals |
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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 |
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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.