Isorhamnetin-3-O-Glucoside

Catalog	BBC5041827
CAS	5041-82-7
Structure
Synonyms	3-Glucosylisorhamnetin
IUPAC Name	5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Weight	478.4
Molecular Formula	C22H22O12
Canonical SMILES	COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI	InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1
InChI Key	CQLRUIIRRZYHHS-LFXZADKFSA-N
Boiling Point	834.4±65.0 °C
Melting Point	155-160 °C
Purity	98%
Density	1.75±0.1 g/ml
Appearance	Powder
pKa	6.17±0.40