52613-28-2

Name Deacetyl asperulosidic acid methyl ester
CAS 52613-28-2
Molecular Formula C17H24O11
MDL Number MFCD21364063
Molecular Weight 404.37
MOL File 52613-28-2.mol
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Chemical Properties

Boiling point  696.3±55.0 °C(Predicted)
density  1.61±0.1 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMSO : 250 mg/mL (618.25 mM; Need ultrasonic)Methanol : 62.5 mg/mL (154.56 mM; Need ultrasonic)
form  Powder
pka 12.80±0.70(Predicted)
color  White to off-white
InChIKey WSGPLSDARZNMCW-FCVLBCLDSA-N
SMILES O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)O[C@@H]2OC=C([C@@H]3[C@H]2C(=C[C@@H]3O)CO)C(=O)OC

Safety Data

Safety Statements 
WGK Germany  WGK 3
HS Code  29389090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Spectrum Detail

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