73030-71-4

Name Atractylenolide III
CAS 73030-71-4
Molecular Formula C15H20O3
MDL Number MFCD00238543
Molecular Weight 248.32
MOL File 73030-71-4.mol
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Chemical Properties

Melting point  166-169 °C(Solv: chloroform (67-66-3))
Boiling point  424.6±45.0 °C(Predicted)
density  1.18±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  methanol: soluble1mg/mL, clear, colorless
form  powder or crystals
pka 10.73±0.60(Predicted)
color  white to off-white
biological source Atractylodes macrocephala Koidz.
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
InChIKey FBMORZZOJSDNRQ-GLQYFDAESA-N
SMILES O1C(=O)C(C)=C2C[C@]3([H])[C@@](C)(C[C@]12O)CCCC3=C

Safety Data

WGK Germany  3
Hazardous Substances Data 73030-71-4(Hazardous Substances Data)

Hazard Information

Spectrum Detail

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