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VERBENALIN Structure

VERBENALIN

Chemical Properties

Melting point 180-182°C
alpha  D25 -173° (water)
Boiling point 610.1±55.0 °C(Predicted)
Density  1.50±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  DMSO : 250 mg/mL (643.72 mM; Need ultrasonic)
pka 12.79±0.70(Predicted)
form  powder
color  White
Merck  13,10021
BRN  57895
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChIKey HLXRWTJXGMHOFN-XJSNKYLASA-N
SMILES [C@@]12([H])[C@@H](C)CC(=O)[C@]1([H])C(C(=O)OC)=CO[C@H]2O[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O |&1:0,2,7,16,18,19,21,22,24,r|
LogP -2.390 (est)
CAS DataBase Reference 548-37-8

Safety Information

Safety Statements  22-24/25
WGK Germany  3
RTECS  GY5826000
F  10-21
Storage Class 11 - Combustible Solids

MSDS

Usage And Synthesis

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