Isoliquiritoside

CAS	5041-81-6
Structure
Synonyms	4-[(1E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenyl beta-D-glucopyranoside
IUPAC Name	(E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Molecular Weight	418.39
Molecular Formula	C21H22O9
Canonical SMILES	C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI	InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1
InChI Key	YNWXJFQOCHMPCK-LXGDFETPSA-N
Boiling Point	743.5±60.0 °C
Melting Point	185-186 °C
Purity	98%
Density	1.528 g/ml
pKa	7.46±0.35
Appearance	Powder