96990-65-7

Name 3-Feruloyl-4-caffeoylquinic acid
CAS 96990-65-7
Molecular Formula C26H26O12
Molecular Weight 530.48
MOL File 96990-65-7.mol
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Chemical Properties

Boiling point  783.7±60.0 °C(Predicted)
density  1.56±0.1 g/cm3(Predicted)
storage temp.  2-8°C
pka 3.70±0.50(Predicted)
Major Application food and beverages
pharmaceutical
InChIKey SDMADMBVKYOYQN-CSPRBKSFSA-N
SMILES OC1=CC(/C=C/C(O[C@@H]2[C@H](O)C[C@@](O)(C(O)=O)C[C@H]2OC(/C=C/C3=CC(OC)=C(O)C=C3)=O)=O)=CC=C1O

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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