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EUDESMINE Structure

EUDESMINE

Chemical Properties

Melting point 108.5-109.5℃
Boiling point 517.3±50.0 °C(Predicted)
Density  1.173±0.06 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMSO : 100 mg/mL (258.77 mM)
form  Solid
color  White to off-white
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChI 1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m1/s1
InChIKey PEUUVVGQIVMSAW-DJDZNOHASA-N
SMILES COc1ccc(cc1OC)[C@@H]2OCC3C2CO[C@H]3c4ccc(OC)c(OC)c4
CAS DataBase Reference 526-06-7

Safety Information

Hazard Codes  Xn
Risk Statements  22
Safety Statements  36
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Usage And Synthesis

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