Kaempferol-4'-O-β-D-glucopyranoside

Catalog	BBC52222749
CAS	52222-74-9
Synonyms	4H-1-Benzopyran-4-one, 2-[4-(β-D-glucopyranosyloxy)phenyl]-3,5,7-trihydroxy-
IUPAC Name	3,5,7-Trihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Molecular Weight	448.38
Molecular Formula	C21H20O11
Canonical SMILES	C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI	InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-3-1-8(2-4-10)20-18(28)16(26)14-11(24)5-9(23)6-12(14)31-20/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1
InChI Key	AUCGRWHWAGXNQS-HMGRVEAOSA-N
Boiling Point	784.5±60.0 °C
Melting Point	223-225 °C
Purity	98%
Density	1.736 g/ml
Appearance	Powder
pKa	6.32±0.40