3-O-Methylducheside A

CAS	62218-23-9
Synonyms	3,8-Di-O-methylellagic acid 2-O-xyloside
IUPAC Name	6-hydroxy-7,14-dimethoxy-13-(3,4,5-trihydroxyoxan-2-yl)oxy-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	462.36
Molecular Formula	C21H18O12
Canonical SMILES	COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)OC5C(C(C(CO5)O)O)O)O
InChI	InChI=1S/C21H18O12/c1-28-15-8(22)3-6-11-12-7(20(27)32-17(11)15)4-10(16(29-2)18(12)33-19(6)26)31-21-14(25)13(24)9(23)5-30-21/h3-4,9,13-14,21-25H,5H2,1-2H3
InChI Key	UDWUZPSSUIWBKB-UHFFFAOYSA-N
Boiling Point	843.5±65.0 °C
Melting Point	227-229 °C
Purity	98%
Density	1.728±0.06 g/ml
Appearance	Solid