Products 94513-58-3

CAS 94513-58-3 is the registry number for 1,4,6-Tri-O-galloylglucose. Offered by: Biosynth. Available pack sizes: 2mg, 1mg, 5mg, 25mg, 10mg.

1,4,6-Tri-O-galloylglucose
Biosynth
  • size: 2mg, 1mg, 5mg, 25mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

[(2R,3S,4R,5R,6S)-4,5-dihydroxy-3,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate (CAS 94513-58-3) is a chemical compound with the molecular formula C27H24O18 and a molecular weight of 636.5 g/mol. IUPAC name: [(2R,3S,4R,5R,6S)-4,5-dihydroxy-3,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate. InChIKey: SUAXOYITDJNGFM-BTPAJHBMSA-N.

Identity
Molecular formulaC27H24O18
Molecular weight636.5 g/mol
IUPAC name[(2R,3S,4R,5R,6S)-4,5-dihydroxy-3,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
InChIKeySUAXOYITDJNGFM-BTPAJHBMSA-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)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

Computed by PubChem (NCBI)

Synonyms: 1,4,6-tri-O-galloyl-beta-D-glucose, 1,4,6-Tri-O-galloyl-I(2)-D-glucose, 1,4,6-tri-O-galloyl-beta-D-glucopyranose, 1,4,6-Tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose
Isomers (same molecular formula)
[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate C27H24O18
[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate C27H24O18