Cedrusin

CAS	75775-36-9
IUPAC Name	(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol
Molecular Weight	346.37
Molecular Formula	C19H22O6
Canonical SMILES	COC1=C(C=CC(=C1)[C@@H]2[C@H](C3=C(O2)C(=CC(=C3)CCCO)O)CO)O
InChI	InChI=1S/C19H22O6/c1-24-17-9-12(4-5-15(17)22)18-14(10-21)13-7-11(3-2-6-20)8-16(23)19(13)25-18/h4-5,7-9,14,18,20-23H,2-3,6,10H2,1H3/t14-,18+/m0/s1
InChI Key	PKORXOLYTWDULG-KBXCAEBGSA-N
Boiling Point	558.1±50.0 °C
Purity	98%
Density	1.332±0.06 g/ml
pKa	9.79±0.35
Appearance	Solid