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13137-64-9

Name Periplocoside
CAS 13137-64-9
Molecular Formula C36H56O13
MDL Number MFCD01745141
Molecular Weight 696.825
MOL File 13137-64-9.mol
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Chemical Properties

Melting point  205°C
alpha  D20 +32°
Boiling point  610.7°C (rough estimate)
density  1.1241 (rough estimate)
refractive index  1.7500 (estimate)
storage temp.  Inert atmosphere,2-8°C
solubility  DMSO : 250 mg/mL (358.77 mM; Need ultrasonic)
form  powder
pka 12.89±0.70(Predicted)
color  White
Water Solubility  7.937g/L(cold water)
InChIKey KWBPKUMWVXUSCA-WVOVULELNA-N
SMILES O1CC(=CC1=O)[C@@H]2[C@@]3([C@@](C4C([C@@]5([C@@](C[C@H](CC5)O[C@@H]6OC([C@H](C(C6O)OC)O)CO[C@H]7C(O[C@@H](CC7O)O)C)(CC4)O)C)CC3)(CC2)O)C

Safety Data

WGK Germany  WGK 3
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 2 Inhalation
Acute Tox. 2 Oral
STOT RE 2
Toxicity
LD in rabbits, rats (mg/kg): 10, 480 s.c. (MacKeith)

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