Atractylenolide Iii

CAS	73030-71-4
Structure
Synonyms	8-Hydroxyasterolide
IUPAC Name	(4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
Molecular Weight	248.32
Molecular Formula	C15H20O3
Canonical SMILES	CC1=C2C[C@H]3C(=C)CCC[C@@]3(C[C@@]2(OC1=O)O)C
InChI	InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1
InChI Key	FBMORZZOJSDNRQ-GLQYFDAESA-N
Boiling Point	424.6±45.0 °C
Melting Point	166-169 °C
Purity	98%
Density	1.18±0.1 g/ml
pKa	10.73±0.60
Appearance	White powder