16-O-METHYL-CAFESTOL

Chemical Properties

Boiling point	448.3±45.0 °C(Predicted)
Density	1.17±0.1 g/cm3(Predicted)
refractive index	n20/D 1.544
storage temp.	−20°C
solubility	DMF: 12 mg/mL; DMF:PBS (pH 7.2) (1:50): 0.02 mg/mL; DMSO: 5 mg/mL; Ethanol: 5 mg/mL
pka	15.01±0.10(Predicted)
Major Application	food and beverages
InChIKey	BDVVNPOGDNWUOI-GVOJMRIRSA-N
SMILES	CO[C@]1(CO)C[C@@]23CCC4c5ccoc5CC[C@@]4(C)C2CCC1C3

WGK Germany	3
Storage Class	11 - Combustible Solids

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