28371-16-6

Name Aloin B
CAS 28371-16-6
Molecular Formula C21H22O9
MDL Number MFCD00869345
Molecular Weight 418.4
MOL File 28371-16-6.mol
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Chemical Properties

Melting point  147～148℃
Boiling point  752.6±60.0 °C(Predicted)
density  1.647±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.  Sealed in dry,2-8°C
solubility  DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 0.25 mg/ml; PBS (pH 7.2): 0.5 mg/ml
form  A crystalline solid
pka 7.12±0.40(Predicted)
color  Light yellow to yellow
Major Application (pharmaceutical small molecule)
InChIKey AFHJQYHRLPMKHU-GQMFJIQQNA-N
SMILES O[C@@H]1[C@H]([C@H](O)[C@@H](CO)O[C@@]1([H])[C@]1([H])C2=CC=CC(O)=C2C(=O)C2C(=CC(CO)=CC1=2)O)O |&1:1,2,3,5,9,11,r|

Safety Data

Symbol(GHS)  Corrosion (GHS05)
GHS05
Signal word  Danger
Hazard statements  H314-H290
Precautionary statements  P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
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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