Epicatechin 3-O-(4-O-methylgallate)

Base Information

Chemical Name:Epicatechin 3-O-(4-O-methylgallate)
CAS No.:108907-44-4
Molecular Formula:C23H20 O10
Molecular Weight:456.406
Hs Code.:
DSSTox Substance ID:DTXSID001292305
Nikkaji Number:J1.051.524F
Metabolomics Workbench ID:21924
ChEMBL ID:CHEMBL159433
Mol file:108907-44-4.mol

Synonyms:Epicatechin 3-O-(4-O-methylgallate);108907-44-4;CHEMBL159433;[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,5-dihydroxy-4-methoxybenzoate;Epicatechin 3-O-(4-methylgallate);(-)-ECG-4''-O-ME;CHEBI:176148;3-O-(4-Methylgalloyl)epicatechin;DTXSID001292305;BDBM50296237;LMPK12020094;Epicatechin-3-O-(4-O-methyl)gallate;(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,5-dihydroxy-4-methoxybenzoate;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,5-dihydroxy-4-methoxybenzoate;[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,5-dihydroxy-4-methoxy-benzoate;2alpha-(3,4-Dihydroxyphenyl)-3alpha-(3,5-dihydroxy-4-methoxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-5,7-diol;3,5-Dihydroxy-4-methoxy-benzoic acid (2R,3R)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester

Suppliers and Price of Epicatechin 3-O-(4-O-methylgallate)

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of Epicatechin 3-O-(4-O-methylgallate)

Chemical Property:

PSA：166.14000
LogP:2.83060
XLogP3:1.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:456.10564683
Heavy Atom Count:33
Complexity:664

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1O)C(=O)OC2CC3=C(C=C(C=C3OC2C4=CC(=C(C=C4)O)O)O)O)O
Isomeric SMILES:COC1=C(C=C(C=C1O)C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C=C4)O)O)O)O)O

Technology Process of Epicatechin 3-O-(4-O-methylgallate)

There total 6 articles about Epicatechin 3-O-(4-O-methylgallate) 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: 88.0%