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Aucubin Structure

Aucubin

Chemical Properties

Melting point 181°
alpha  D21 -163.1° (c = 1.6)
Boiling point 669.0±55.0 °C(Predicted)
Density  1.61±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMF: 30 mg/ml; DMSO: 30 mg/ml; PBS (pH 7.2): 10 mg/ml
form  Solid
pka 12.80±0.70(Predicted)
color  White
optical activity -16518 (H2O)
BRN  50340
Major Application food and beverages
InChI InChI=1/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/s3
InChIKey RJWJHRPNHPHBRN-FKVJWERZSA-N
SMILES [C@@]12([H])C(CO)=C[C@@H](O)[C@]1([H])C=CO[C@H]2O[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O |&1:0,6,8,13,15,16,18,19,21,r|
LogP -4.103 (est)
CAS DataBase Reference 479-98-1(CAS DataBase Reference)

Safety Information

Risk Statements  22
Safety Statements  22-45
WGK Germany  3
F  10-23
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

MSDS

Usage And Synthesis

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