Quercetin 3-O-(6''-galloyl)-beta-D-galactopyranoside

Base Information

• Chemical Name: Quercetin 3-O-(6''-galloyl)-beta-D-galactopyranoside
• CAS No.: 53171-28-1
• Deprecated CAS: 124086-76-6,56508-10-2
• Molecular Formula: C₂₈H₂₄O₁₆
• Molecular Weight: 616.489
• DSSTox Substance ID: DTXSID90971957
• Nikkaji Number: J499.315B
• Wikidata: Q82955648
• Mol file: 53171-28-1.mol

Synonyms:53171-28-1;Quercetin 3-O-(6''-galloyl)-beta-D-galactopyranoside;Hyperin 6''-gallate;Quercetin 3-(6-O-galloylgalactoside);[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate;((2R,3R,4S,5R,6S)-6-((2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl 3,4,5-trihydroxybenzoate;Quercetin 3-O-(6-O-galloyl)-beta-D-galactopyranoside;MEGxp0_000271;ACon1_001088;DTXSID90971957;HY-N7024;56508-10-2;MS-30744;PD164919;CS-0101591;Quercetin-3-O-beta-(6''-galloylgalactoside);E88756;Quercetin 3-O-(6''-galloyl)-|A-D-galactopyranoside;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(3,4,5-trihydroxybenzoyl)hexopyranoside;Benzoic acid, 3,4,5-trihydroxy-, 6'-ester with 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one

Chemical Property of Quercetin 3-O-(6''-galloyl)-beta-D-galactopyranoside

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 7
• Exact Mass: 616.10643467
• Heavy Atom Count: 44
• Complexity: 1070

Purity/Quality:

98% ^*data from raw suppliers

Quercetin 3-O-(6''-galloyl)-beta-D-galactopyranoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O

Technology Process of Quercetin 3-O-(6''-galloyl)-beta-D-galactopyranoside

There total 1 articles about Quercetin 3-O-(6''-galloyl)-beta-D-galactopyranoside which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 75.0%

((2R,3R,4S,5R,6S)-3,4,5-tris(benzyloxy)-6-((5,7-bis(benzyloxy)-2-(3,4-bis(benzyloxy)phenyl)-4-oxo-4H-chromen-3-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl 3,4,5-tris(benzyloxy)benzoate → quercetin-3-O-(6-O-galloyl)-β-D-glucopyranoside (53171-28-1,56316-75-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; ethanol; at 25 ℃; for 12h;

DOI:10.3390/ijms18051074

Reference yield:

quercetin-3-O-(6-O-galloyl)-β-D-glucopyranoside (53171-28-1,56316-75-7) → isoquercetin (482-35-9)

Guidance literature:

With sodium carbonate; In methanol; dimethyl sulfoxide; at 40 ℃;

DOI:10.1271/bbb.65.1302

Reference yield:

quercetin-3-O-(6-O-galloyl)-β-gallcopyranoside (53171-28-1,56316-75-7) → Hyperoside (482-36-0)

Guidance literature:

With sodium carbonate; In methanol; dimethyl sulfoxide; at 40 ℃;

DOI:10.1271/bbb.65.1302

Downstream raw materials:

isoquercetin

Hyperoside

Refernces

• 1、 Kato, Komei,Ninomiya, Masayuki,Tanaka, Kaori,Koketsu, Mamoru. "Effects of Functional Groups and Sugar Composition of Quercetin Derivatives on Their Radical Scavenging Properties". supporting information. p. 1808 - 1814. Retrieved 2016/08/02.