14259-45-1

Name ASPERULOSIDE
CAS 14259-45-1
EINECS(EC#) 238-137-5
Molecular Formula C18H22O11
MDL Number MFCD02094172
Molecular Weight 414.36
MOL File 14259-45-1.mol

Chemical Properties

Melting point  131-132°
alpha  D25 -198.6° (c = 1.44 in water)
Boiling point  704.2±60.0 °C(Predicted)
density  1.62±0.1 g/cm3(Predicted)
storage temp.  ?20°C
solubility  Soluble in methanol and water
form  powder
pka 12.76±0.70(Predicted)
color  White
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChIKey IBIPGYWNOBGEMH-BWDLRQFSNA-N
SMILES [C@]12([H])C(COC(=O)C)=C[C@]3([H])OC(=O)C(=COC1O[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O)[C@]23[H] |&1:0,9,19,20,22,23,25,30,r|
EPA Substance Registry System 1H-2,6-Dioxacyclopent[cd]inden-1-one, 4-[(acetyloxy)methyl]-5-(?-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, (2aS,4aS,5S,7bS)- (14259-45-1)

Safety Data

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

Hazard Information

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