139891-98-8

Name (3-sinapoyl)fructofuranosyl-(6-sinapoyl)glucopyranoside
CAS 139891-98-8
Molecular Formula C34H42O19
MDL Number MFCD23379921
Molecular Weight 754.69
MOL File 139891-98-8.mol
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Chemical Properties

Melting point  129-130℃
Boiling point  988.0±65.0 °C(Predicted)
density  1.56±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Soluble in DMSO and methan
form  powder
pka 9.75±0.36(Predicted)
color  Beige
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChIKey SJMPGYOOYSOPLD-KUCTVCKGNA-N
SMILES OC1=C(OC)C=C(/C=C/C(O[C@@H]2[C@@](O[C@@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4=CC(OC)=C(O)C(OC)=C4)=O)O3)(CO)O[C@H](CO)[C@H]2O)=O)C=C1OC

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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