Simonsinol

CAS	155709-40-3
Synonyms	3'',5,5'-Tri-2-propenyl- [1,1':3',1''-terphenyl]-2,2',4''-triol
IUPAC Name	2-(2-hydroxy-5-prop-2-enylphenyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
Molecular Weight	398.5
Molecular Formula	C27H26O3
Canonical SMILES	C=CCC1=CC(=C(C=C1)O)C2=C(C(=CC(=C2)CC=C)C3=CC(=C(C=C3)O)CC=C)O
InChI	InChI=1S/C27H26O3/c1-4-7-18-10-12-26(29)23(14-18)24-16-19(8-5-2)15-22(27(24)30)20-11-13-25(28)21(17-20)9-6-3/h4-6,10-17,28-30H,1-3,7-9H2
InChI Key	FAERQKZGOCHVNC-UHFFFAOYSA-N
Boiling Point	524.5±45.0 °C
Purity	98%
Density	1.143±0.06 g/ml
pKa	8.90±0.48
Appearance	Powder