[5,7-dihydroxy-2-(2,3,4,5-tetrahydroxy-6-oxobenzo[7]annulen-8-yl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

Base Information

• Chemical Name: [5,7-dihydroxy-2-(2,3,4,5-tetrahydroxy-6-oxobenzo[7]annulen-8-yl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
• CAS No.: 102067-92-5
• Molecular Formula: C₂₇H₂₀O₁₃
• Molecular Weight: 552.448
• Mol file: 102067-92-5.mol

Synonyms:[5,7-dihydroxy-2-(2,3,4,5-tetrahydroxy-6-oxobenzo[7]annulen-8-yl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;CHEBI:184388;5,7-Dihydroxy-2-{2,3,4,5-tetrahydroxy-6-oxo-6H-benzo[7]annulen-8-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

Chemical Property of [5,7-dihydroxy-2-(2,3,4,5-tetrahydroxy-6-oxobenzo[7]annulen-8-yl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

Chemical Property:

• Boiling Point: 1073.4±65.0 °C(Predicted)
• PKA: 6.59±0.20(Predicted)
• Density: 1.95±0.1 g/cm3(Predicted)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 552.09039069
• Heavy Atom Count: 40
• Complexity: 1230

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C=C(C(=C4O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O

Technology Process of [5,7-dihydroxy-2-(2,3,4,5-tetrahydroxy-6-oxobenzo[7]annulen-8-yl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

There total 3 articles about [5,7-dihydroxy-2-(2,3,4,5-tetrahydroxy-6-oxobenzo[7]annulen-8-yl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate 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:

(-)-epigallocathechin gallate (2596-50-1,4233-96-9,5127-64-0,19065-20-4,107965-88-8,137766-94-0,989-51-5) + 2-hydroxyresorcinol (87-66-1) → purpurogallin (569-77-7) + epitheaflagallin 3-O-gallate (102067-92-5)

Guidance literature:

With sodium hydrogencarbonate; potassium hexacyanoferrate(III); In water; for 1h;

DOI:10.1248/cpb.34.61

Reference yield:

3,4,5-trihydroxybenzoic acid (149-91-7) + (-)-epigallocathechin gallate (2596-50-1,4233-96-9,5127-64-0,19065-20-4,107965-88-8,137766-94-0,989-51-5) → epitheaflagallin 3-O-gallate (102067-92-5)

Guidance literature:

With phosphate-citrate buffer; dihydrogen peroxide; horseradish peroxidase; In water; acetone; for 0.75h; pH=5.0;

DOI:10.1016/j.bmc.2003.10.024

Reference yield:

3,4,5-trihydroxybenzoic acid (149-91-7) + (-)-epigallocathechin gallate (2596-50-1,4233-96-9,5127-64-0,19065-20-4,107965-88-8,137766-94-0,989-51-5) → purpurogallin-4-carboxylic acid (5146-12-3) + epitheaflagallin 3-O-gallate (102067-92-5)

Guidance literature:

With sodium hydrogencarbonate; potassium hexacyanoferrate(III); In water; for 0.666667h;

DOI:10.1248/cpb.34.61

upstream raw materials:

3,4,5-trihydroxybenzoic acid

(-)-epigallocathechin gallate

2-hydroxyresorcinol

Downstream raw materials:

purpurogallin-4-carboxylic acid

epitheaflagallin

3,4,5-trihydroxybenzoic acid