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SINOACUTINE Structure

SINOACUTINE

Chemical Properties

Melting point 198℃
Boiling point 532.5±50.0 °C(Predicted)
Density  1.33
solubility  DMF: 10mg/mL; DMF:PBS (pH 7.2) (1:4): 0.2mg/mL; DMSO: 5mg/mL; Ethanol: 1mg/mL
form  A solid
pka 9.28±0.40(Predicted)
InChI InChI=1/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/s3
InChIKey GVTRUVGBZQJVTF-FQOPCSHHNA-N
SMILES [C@@]123CCN(C)[C@@]([H])(CC4C=CC(OC)=C(O)C1=4)C2=CC(=O)C(OC)=C3 |&1:0,5,r|

Usage And Synthesis

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