Casticin

Catalog	BBC479914
CAS	479-91-4
Structure
Synonyms	3,4',6,7-Tetramethoxy-3',5-dihydroxyflavone
IUPAC Name	5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
Molecular Weight	374.34
Molecular Formula	C19H18O8
Canonical SMILES	COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O
InChI	InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
InChI Key	PJQLSMYMOKWUJG-UHFFFAOYSA-N
Boiling Point	617.7±55.0 °C
Melting Point	186-187 °C
Purity	98%
Density	1.44±0.1 g/ml
Appearance	Dark brown solid
pKa	1.44±0.1