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

Datasheet MSDS
Catalog Number
ANC03410
Product Name
3,8-Di-O-methylellagic acid 2-O-glucoside
CAS Number
51803-68-0
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
Synonyms
3,3'-Di-O-methylellagicacid4-O-glucoside
Molecular Formula
C22H20O13
Molecular Weight
492.39
Appearance
Yellow Powder
Purity
>98%
Density
1.7±0.1g/cm3
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
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