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42123-27-3

Name Tetradehydropodophyllotoxin
CAS 42123-27-3
Molecular Formula C22H18O8
MDL Number MFCD22586530
Molecular Weight 410.37
MOL File 42123-27-3.mol
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Chemical Properties

Melting point  286-288 °C (decomp)
Boiling point  638.0±55.0 °C(Predicted)
density  1.429±0.06 g/cm3(Predicted)
storage temp.  4°C, away from moisture and light
solubility  DMSO : 12.5 mg/mL (30.46 mM; ultrasonic and warming and heat to 80°C)
form  Solid
pka 7.63±0.20(Predicted)
color  White to Light Brown
InChI InChI=1S/C22H18O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,23H,8-9H2,1-3H3
InChIKey HSSDVCMYTACNSM-UHFFFAOYSA-N
SMILES O1C2=CC3C(C=C2OC1)=C(C1=CC(OC)=C(OC)C(OC)=C1)C1C(=O)OCC=1C=3O

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