13040-46-5

Name paulownin
CAS 13040-46-5
Molecular Formula C20H18O7
MDL Number MFCD20261059
Molecular Weight 370.35
MOL File 13040-46-5.mol
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Chemical Properties

Boiling point  555.0±50.0 °C(Predicted)
density  1.496±0.06 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMSO : 100 mg/mL (270.01 mM; Need ultrasonic)
form  Solid
pka 13.16±0.60(Predicted)
color  Off-white to light yellow
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChI 1S/C20H18O7/c21-20-8-23-18(11-1-3-14-16(5-11)26-9-24-14)13(20)7-22-19(20)12-2-4-15-17(6-12)27-10-25-15/h1-6,13,18-19,21H,7-10H2/t13-,18-,19-,20-/m1/s1
InChIKey CAQZFLPWHBKTTR-WNISUXOKSA-N
SMILES O[C@]12CO[C@@H]([C@H]1CO[C@@H]2c3ccc4OCOc4c3)c5ccc6OCOc6c5

Safety Data

Symbol(GHS)  Environment (GHS09)
GHS09
Signal word  Warning
Hazard statements  H410
Precautionary statements  P273-P501
Hazard Codes  N
Risk Statements 
Safety Statements 
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1

Hazard Information

Spectrum Detail

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