Puerarin

Catalog	BBC3681990
CAS	3681-99-0
Structure
Synonyms	Kakonein
IUPAC Name	7-Hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Molecular Weight	416.38
Molecular Formula	C21H20O9
Canonical SMILES	C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O
InChI	InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1
InChI Key	HKEAFJYKMMKDOR-VPRICQMDSA-N
Boiling Point	688.0±55.0 °C
Melting Point	187-189 °C
Flash Point	281.5 °C
Purity	98%
Density	1.614±0.06 g/cm³
Solubility	Soluble in DMSO or DMF, slightly soluble in water or ethanol
Appearance	White to off-white powder
Storage	2-8 °C
pKa	6.46±0.20(Predicted)
Refractive Index	1.719