3,8-Di-O-Methylellagic acid 2-O-glucoside

CAS	51803-68-0
Synonyms	3,3'-Di-O-methylellagic acid-4'-O-β-D-glucopyranoside
IUPAC Name	6-hydroxy-7,14-dimethoxy-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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	492.39
Molecular Formula	C22H20O13
Canonical SMILES	COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChI	InChI=1S/C22H20O13/c1-30-16-8(24)3-6-11-12-7(21(29)34-18(11)16)4-9(17(31-2)19(12)35-20(6)28)32-22-15(27)14(26)13(25)10(5-23)33-22/h3-4,10,13-15,22-27H,5H2,1-2H3/t10-,13-,14+,15-,22-/m1/s1
InChI Key	PNYQFRZBMVRYFC-CGWYSGAGSA-N
Boiling Point	887.5±65.0 °C
Purity	98%
Density	1.721±0.06 g/ml
Appearance	Solid