Scientific information on chemical compounds included in crude drugs
Atractylenolide III

Molecular formula C15H20O3
Average molecular mass
(Molecular weight)
248.32
Exact molecular mass 248.141244 
[M+H]+ 249.149 
[M-H]- 247.133 
CAS 73030-71-4
NIKKAJI J11.964D
PUBCHEM No. 155948
Crude drug Atractylodes Rhizome
IUPAC_NAME (4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
Remarks InChIKey (PubChem): FBMORZZOJSDNRQ-GLQYFDAESA-N