3,4,5-Trimethoxyphenyl-(6-O-Galloyl)-O-Beta-D-Glucopyranoside

Catalog	BBC109206942
CAS	109206-94-2
Synonyms	β-D-Glucopyranoside, 3,4,5-trimethoxyphenyl, 6-(3,4,5-trihydroxybenzoate)
IUPAC Name	[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Molecular Weight	498.44
Molecular Formula	C22H26O13
Canonical SMILES	COC1=CC(=CC(=C1OC)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O
InChI	InChI=1S/C22H26O13/c1-30-13-6-10(7-14(31-2)20(13)32-3)34-22-19(28)18(27)17(26)15(35-22)8-33-21(29)9-4-11(23)16(25)12(24)5-9/h4-7,15,17-19,22-28H,8H2,1-3H3/t15-,17-,18+,19-,22-/m1/s1
InChI Key	KIFTYWBRCWVSAV-DRASZATQSA-N
Purity	98%
Appearance	Solid