Oenin

Base Information

• Chemical Name: Oenin
• CAS No.: 18470-06-9
• Molecular Formula: C₂₃H₂₅O₁₂
• Molecular Weight: 493.444
• DSSTox Substance ID: DTXSID30332124
• Nikkaji Number: J215.860D
• Wikipedia: Oenin
• Wikidata: Q137147
• Metabolomics Workbench ID: 44557
• ChEMBL ID: CHEMBL403236
• Mol file: 18470-06-9.mol

Synonyms:malvidin-3-O-glucoside;oenin

Chemical Property of Oenin

Chemical Property:

• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 493.13460123
• Heavy Atom Count: 35
• Complexity: 669

Purity/Quality:

≥95% ^*data from raw suppliers

Malvidin 3-O-glucoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O
• Isomeric SMILES: COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

Technology Process of Oenin

There total 2 articles about Oenin 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:

malvidin 3-O-[6-O-(3-hydroxy-3-methylglutaroyl)-β-D-glucopyranoside] (1158964-28-3) → malvidin 3-O-glucoside (18470-06-9)

Guidance literature:

With water; sodium hydroxide; at 20 ℃; for 0.25h; Inert atmosphere;

DOI:10.1016/j.phytochem.2009.03.005

Reference yield:

malvidin 3-O-[6-O-malonyl-β-D-glucopyranoside] (762204-98-8) → malvidin 3-O-glucoside (18470-06-9)

Guidance literature:

With water; sodium hydroxide; at 20 ℃; for 0.25h; Inert atmosphere;

DOI:10.1016/j.phytochem.2009.03.005

Reference yield: 30.0%

malvidin 3-O-glucoside (18470-06-9) + trimethylsiloxyethene (6213-94-1) → malvidin-3-O-glucoside acetaldehyde

Guidance literature:

With sodium hydroxide; In ethanol; water; at 20 ℃; for 2h; pH=3.2;

DOI:10.1016/j.tetlet.2009.04.072

upstream raw materials:

malvidin 3-O-[6-O-(3-hydroxy-3-methylglutaroyl)-β-D-glucopyranoside]

malvidin 3-O-[6-O-malonyl-β-D-glucopyranoside]

Downstream raw materials:

5-carboxypyranomalvidin 3-O-β-D-glucopyranoside

Refernces