466-06-8

Name PROSCILLARIDIN A
CAS 466-06-8
EINECS(EC#) 207-370-4
Molecular Formula C30H42O8
MDL Number MFCD00214065
Molecular Weight 530.66
MOL File 466-06-8.mol
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Chemical Properties

Melting point  233°C
alpha  D20 -91.5° (CH3OH)
Boiling point  530.03°C (rough estimate)
density  1.33±0.1 g/cm3 (20 ºC 760 Torr)
refractive index  1.4900 (estimate)
storage temp.  2-8°C
solubility  DMSO: 100 mg/mL (188.45 mM)
form  Solid
pka 13.01±0.70(Predicted)
color  White to Off-White
Stability: Hygroscopic
InChIKey MYEJFUXQJGHEQK-RLQJMXQZSA-N
SMILES C[C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O[C@]5([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C4CC[C@@]3([H])[C@@]1(O)CC[C@@H]2C6=COC(C=C6)=O
LogP 2.480

Safety Data

Hazard Codes  T
Risk Statements 
Safety Statements 
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  UK6650000
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Toxicity
LD50 in male, female rats (mg/kg): 56, 76 orally (Goldenthal)

Hazard Information

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