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Echinocystic acid Structure

Echinocystic acid

Chemical Properties

Melting point 299-300°C
Boiling point 585.0±50.0 °C(Predicted)
Density  1.14
storage temp.  2-8°C
solubility  DMF:30.0(Max Conc. mg/mL);63.46(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:2):0.33(Max Conc. mg/mL);0.7(Max Conc. mM)
form  powder
pka 4.43±0.70(Predicted)
color  White
InChIKey YKOPWPOFWMYZJZ-XVTBUTEGNA-N
SMILES [C@@]12(CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O)C(=O)O |&1:0,7,12,14,18,23,27,29,32,r|
LogP 7.580 (est)

Usage And Synthesis

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