Quercetin-7-O-β-D-glucopyranoside

Catalog	BBC491509
CAS	491-50-9
Structure
Synonyms	7-(β-D-Glucopyranosyloxy)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4H-1-benzopyran-4-one
IUPAC Name	2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Weight	464.38
Molecular Formula	C21H20O12
Canonical SMILES	C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O
InChI	InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1
InChI Key	BBFYUPYFXSSMNV-HMGRVEAOSA-N
Boiling Point	859.2±65.0 °C
Melting Point	248 °C
Purity	98%
Density	1.809±0.06 g/ml
Appearance	Powder
pKa	5.92±0.40