3-(2-Glucosyloxy-4-Methoxyphenyl)Propanoic Acid

Catalog	BBC477873635
CAS	477873-63-5
Synonyms	2-O-beta-D-Glucosyloxy-4-methoxybenzenepropanoic acid
IUPAC Name	3-[4-Methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
Molecular Weight	358.34
Molecular Formula	C16H22O9
Canonical SMILES	COC1=CC(=C(C=C1)CCC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI	InChI=1S/C16H22O9/c1-23-9-4-2-8(3-5-12(18)19)10(6-9)24-16-15(22)14(21)13(20)11(7-17)25-16/h2,4,6,11,13-17,20-22H,3,5,7H2,1H3,(H,18,19)/t11-,13-,14+,15-,16-/m1/s1
InChI Key	LIVNOUBJFOXZOR-YMILTQATSA-N
Melting Point	168-169 °C
Purity	98%
Appearance	Solid