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toralactone Structure

toralactone

Chemical Properties

Melting point 250-252 °C
Boiling point 480.2±45.0 °C(Predicted)
Density  1.432±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
form  Solid
pka 4.65±0.20(Predicted)
color  Off-white to yellow
InChI InChI=1S/C15H12O5/c1-7-3-8-4-9-5-10(19-2)6-11(16)12(9)14(17)13(8)15(18)20-7/h3-6,16-17H,1-2H3
InChIKey WEHXAEGTVPWKDY-UHFFFAOYSA-N
SMILES C1(=O)OC(C)=CC2=CC3C(C(O)=C12)=C(O)C=C(OC)C=3
CAS DataBase Reference 41743-74-2

Usage And Synthesis

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