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Decursin Structure

Decursin

Chemical Properties

Melting point 93-94℃
Boiling point 469.4±45.0 °C(Predicted)
Density  1.24
storage temp.  -20°C
solubility  DMSO: soluble5mg/mL, clear
form  powder
color  white to beige
optical activity [α]/D +120 to +160°, c = 0.5 in chloroform-d
InChI InChI=1S/C19H20O5/c1-11(2)7-18(21)23-16-9-13-8-12-5-6-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/t16-/m0/s1
InChIKey CUKSFECWKQBVED-INIZCTEOSA-N
SMILES C(O[C@@H]1C(C)(C)OC2=C(C1)C=C1C(=C2)OC(=O)C=C1)(=O)/C=C(/C)\C

Safety Information

Safety Statements  24/25
WGK Germany  3
HS Code  29322090

Usage And Synthesis

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