PINORESINOL Structure

PINORESINOL

Chemical Properties

Melting point 144-145℃
Boiling point 556.5±50.0 °C(Predicted)
Density  1.287±0.06 g/cm3(Predicted)
pka 9.54±0.35(Predicted)
InChI InChI=1/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/s3
InChIKey HGXBRUKMWQGOIE-VVZREXRKNA-N
SMILES O1C[C@@]2([H])[C@H](C3=CC=C(O)C(OC)=C3)OC[C@@]2([H])[C@@H]1C1=CC=C(O)C(OC)=C1 |&1:2,4,16,18,r|
FDA UNII V4N1UDY811

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