Chrysoeriol-7-O-beta-D-glucoside

Catalog	BBC19993329
CAS	19993-32-9
Structure
Synonyms	7-O-(beta-D-Glucosyl)chrysoeriol
IUPAC Name	5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Weight	462.41
Molecular Formula	C22H22O11
Canonical SMILES	COC1=C(C=CC(=C1)C2=CC(=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
InChI	InChI=1S/C22H22O11/c1-30-15-4-9(2-3-11(15)24)14-7-13(26)18-12(25)5-10(6-16(18)32-14)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChI Key	GAMYVSCDDLXAQW-MIUGBVLSSA-N
Boiling Point	801.6±65.0 °C
Melting Point	176-179 °C
Purity	98%
Density	1.609 g/ml
Appearance	Powder
pKa	6.10±0.40