Atractylenolide III

About This Item

Molecular Formula	C₁₅H₂₀O₃
CAS Number	73030-71-4

FC-0407968

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Properties

Chemical Identifiers

IUPAC Name	(4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
SMILES	CC1=C2C[C@H]3C(=C)CCC[C@@]3(C[C@@]2(OC1=O)O)C
InChI Key	FBMORZZOJSDNRQ-GLQYFDAESA-N
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

Physical Properties

Boiling Point	424.6±45.0 °C at 760 mmHg
Melting Point	200-201ºC
Flash Point	181.1±21.5 °C
Density	1.2±0.1 g/cm3

Safety Information

Flash Point

181.1±21.5 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.