Atractylenolide Iii
(4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
Also Known As: Atractylenolide III|Codonolactone|AtractylenolideIII|Atractylenolide|8-Hydroxyasterolide|atractylolide III|8beta-Hydroxyasterolide|Atractylenolide beta|Atractylenolide-III|8 beta-Hydroasterolide|atractylenolide cento|8|?-Hydroxyasterolide|(+)-8beta-Hydroxyasterolide|Atractylenolide III (Standard)|HY-N0203R|ICodonolactone;8-Hydroxyasterolide|HY-N0203|NP5943|s9313|Atractylenolide III, >=98% (HPLC)|CS-3671|NCGC00385304-01
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14125 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 |
| Monoisotopic Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 476.0 |
| Solubility | In methanol, 1 mg/mL, clear, colorless |
Chemical Identifiers
| CAS Number | 73030-71-4 |
|---|---|
| SMILES | CC1=C2C[C@H]3C(=C)CCC[C@@]3(C[C@@]2(OC1=O)O)C |
| InChIKey | FBMORZZOJSDNRQ-GLQYFDAESA-N |
Product Overview
Atractylenolide Iii (CAS 73030-71-4), with molecular formula C15H20O3 and molecular weight 248.14125 g/mol. IUPAC: (4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one.
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