3,7,8-Tri-O-methylellagic acid

Catalog	BBC1617498
CAS	1617-49-8
Synonyms	Combretum caffrum
IUPAC Name	6-Hydroxy-7,13,14-trimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
Molecular Weight	344.27
Molecular Formula	C17H12O8
Canonical SMILES	COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC)O)C(=O)O2)OC
InChI	InChI=1S/C17H12O8/c1-21-9-5-7-11-10-6(16(19)25-15(11)13(9)23-3)4-8(18)12(22-2)14(10)24-17(7)20/h4-5,18H,1-3H3
InChI Key	LXEQIOGTMDLLEC-UHFFFAOYSA-N
Boiling Point	630.0±55.0 °C
Melting Point	289-291 °C
Purity	98%
Density	1.544±0.06 g/ml
Appearance	Solid
pKa	7.56±0.20