Products 79886-49-0

CAS 79886-49-0 appears in our catalog under these names: 1,2,6–Tri–O–galloyl–β–D–glucose, 1,2,6-Tri-O-galloylglucose, 1,2,6-Tri-O-galloyl-β-D-glucose, 99.0%, 1,2,6-Tri-O-galloyl-β-D-glucose, 99%. Offered by: GLPBio, Biosynth, MedChemExpress, Chemat. Available pack sizes: 1mg, 10mg, 1 mg, 5 mg.

Structural formula: {0} (CAS {1})

1,2,6-tris-O-galloyl-beta-D-glucose is a galloyl-beta-D-glucose compound having the galloyl groups in the 1-, 2- and 6-positions. It is a galloyl beta-D-glucose and a gallate ester. It is functionally related to a beta-D-glucose and a gallic acid.

Source: ChEBI

Identity
Molecular formulaC27H24O18
Molecular weight636.5 g/mol
IUPAC name[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
InChIKeyLLENXGNWVNSBQG-VFTFQOQOSA-N
SMILESC1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O

Computed by PubChem (NCBI)