1398-78-3

Name colocynthin
CAS 1398-78-3
EINECS(EC#) 215-745-9
Molecular Formula C38H54O13
MDL Number MFCD00046215
Molecular Weight 718.83
MOL File 1398-78-3.mol
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Chemical Properties

Melting point  158-160℃
alpha  D +50° (c = 0.4 in ethanol)
density  1.35±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.  -20°C
form  solid
Major Application food and beverages
InChIKey QKEJRKXVLGOJMB-YYBMGDPWSA-N
SMILES CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H300
Precautionary statements  P301+P330+P331+P310
RIDADR  UN 2811 6.1 / PGII
WGK Germany  1
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 2 Oral

Hazard Information

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