3,7-Di-O-Methylducheside A

Catalog	BBC136133089
CAS	136133-08-9
Synonyms	3,7,8-Tri-O-methylellagic acid 2-O-xyloside
IUPAC Name	6,7,14-trimethoxy-13-[(2S,3R,4S,5R)-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	476.39
Molecular Formula	C22H20O12
Canonical SMILES	COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)C(=O)O2)OC
InChI	InChI=1S/C22H20O12/c1-28-10-4-7-12-13-8(21(27)33-18(12)16(10)29-2)5-11(17(30-3)19(13)34-20(7)26)32-22-15(25)14(24)9(23)6-31-22/h4-5,9,14-15,22-25H,6H2,1-3H3/t9-,14+,15-,22+/m1/s1
InChI Key	QXQRDKINPINYFD-SCBIHCBJSA-N
Boiling Point	804.0±65.0 °C
Purity	98%
Density	1.625±0.06 g/ml
Appearance	Solid