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19210-12-9

Name Harpagoside
CAS 19210-12-9
EINECS(EC#) 242-881-6
Molecular Formula C24H30O11
MDL Number MFCD00017415
Molecular Weight 494.49
MOL File 19210-12-9.mol
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Chemical Properties

Melting point  120°C (dec.)
Boiling point  720.7±60.0 °C(Predicted)
density  1.52±0.1 g/cm3(Predicted)
storage temp.  Inert atmosphere,2-8°C
solubility  Aqueous Acid (Slightly), DMSO (Slightly), Methanol (Slightly)
form  neat
pka 11.70±0.70(Predicted)
color  White to Light Yellow
Optical Rotation [α]/D -50 to -30°
Stability: Hygroscopic
InChIKey KVRQGMOSZKPBNS-FMHLWDFHSA-N
SMILES O[C@@]12C=CO[C@@H](O[C@@]3([H])[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O3)O)[C@]1([H])[C@@](C)(OC(=O)/C=C/C1C=CC=CC=1)C[C@H]2O |&1:1,5,7,9,10,12,14,19,21,35,r|
LogP -1.591 (est)
CAS DataBase Reference 19210-12-9(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
Safety Statements 
S22:Do not breathe dust .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  3172
WGK Germany  3
HS Code  29389090

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