CAS 94513-58-3

1,4,6-Tri-O-galloyl-β-<span class="text-smallcaps">D</span>-glucose

Description:

1,4,6-Tri-O-galloyl-β-D-glucose is a chemical compound characterized by the presence of three galloyl groups esterified to the hydroxyl positions at the 1, 4, and 6 positions of β-D-glucose. This compound belongs to the class of galloyl derivatives, which are known for their potential antioxidant and anti-inflammatory properties. The galloyl groups contribute to the compound's ability to scavenge free radicals and may enhance its biological activity. It is typically found in various plant sources, particularly in certain fruits and tea, where it may play a role in the plant's defense mechanisms. The compound's structure allows for interactions with biological macromolecules, which may influence its pharmacological effects. Additionally, 1,4,6-Tri-O-galloyl-β-D-glucose may exhibit solubility in polar solvents, making it suitable for various applications in food, pharmaceuticals, and nutraceuticals. Its CAS number, 94513-58-3, is a unique identifier that facilitates the identification and study of this specific compound in scientific literature and databases.

Formula: C₂₇H₂₄O₁₈

InChI: InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-23(44-25(40)9-3-13(30)19(35)14(31)4-9)21(37)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23-,27+/m1/s1

InChI key: InChIKey=SUAXOYITDJNGFM-BTPAJHBMSA-N

SMILES: C(OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H]2[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)O2

Synonyms:

• β-D-Glucopyranose, 1,4,6-tris(3,4,5-trihydroxybenzoate)
• 1,4,6-Tri-O-galloyl-β-D-glucose
• 1,4,6-Tri-O-galloyl-β-d-glucose
• 1,4,6-Trigalloylglucose
• 1,4,6-Tri-O-galloyl-β-D-glucopyranose
• 1,4,6-Tri-O-galloyl-beta-D-glucopyranose
• 1,4,6-Tri-O-galloyl-beta-D-glucose
• 1,4,6-Tri-O-galloylglucose

1,4,6-Tri-O-galloylglucose

CAS: 94513-58-3

1,4,6-Tri-O-galloylglucose is a synthetic carbohydrate that has been modified using glycosylation, methylation, and click modification. It is a complex carbohydrate with a high purity of 99.5%, and can be used in many applications including the synthesis of oligosaccharides. 1,4,6-Tri-O-galloylglucose can be fluorinated to create a product with increased resistance to hydrolysis.

Formula: C₂₇H₂₄O₁₈

Purity: Min. 95%

Molecular weight: 636.47 g/mol

Ref: 3D-MT46226