Isorhamnetin 3-neohesperidoside

Base Information

• Chemical Name: Isorhamnetin 3-neohesperidoside
• CAS No.: 55033-90-4
• Molecular Formula: C28H32O16
• Molecular Weight: 624.552
• Metabolomics Workbench ID: 23670
• Wikidata: Q105221000
• Mol file: 55033-90-4.mol

Synonyms:3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one;Isorhamnetin 3-neohesperidoside;Isorhamnetin 3-O-neohesperidine;SCHEMBL20801878

Chemical Property of Isorhamnetin 3-neohesperidoside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.728
• Boiling Point: 956.77 °C at 760 mmHg
• PKA: 6.17±0.40(Predicted)
• Flash Point: 314.151 °C
• PSA: 258.43000
• Density: 1.74 g/cm³
• LogP: -1.38410
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly), Pyridine (Slightly)
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 7
• Exact Mass: 624.16903493
• Heavy Atom Count: 44
• Complexity: 1040

Purity/Quality:

98%,99%, ^*data from raw suppliers

Calendoflavoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)CO)O)O)O)O)O
• Uses: Isorhamnetin 3-O-neohesperidine is a flavonol glycoside extract used as an anti-oxidant.

Technology Process of Isorhamnetin 3-neohesperidoside

There total 1 articles about Isorhamnetin 3-neohesperidoside 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: 86.0%

4',7-di-O-benzyl-3'-O-methylquercetin-3-yl 2,3,4-tri-O-benzoyl-α-L-rhamnopyranosyl-(1->2)-4,6-di-O-acetyl-3-O-benzoyl-β-D-glucopyranoside → 3'-O-methylquercetin-3-yl-α-L-rhamnopyranosyl-(1->2)-β-D-glucopyranoside (55033-90-4)

Guidance literature:

4',7-di-O-benzyl-3'-O-methylquercetin-3-yl 2,3,4-tri-O-benzoyl-α-L-rhamnopyranosyl-(1->2)-4,6-di-O-acetyl-3-O-benzoyl-β-D-glucopyranoside; With hydrogen; palladium on activated charcoal; In ethanol; ethyl acetate; at 40 ℃; for 7h; under 760 Torr;

With sodium methylate; In methanol; dichloromethane; at 20 ℃; for 4h;

DOI:10.1016/j.carres.2005.04.021

Reference yield:

3'-O-methylquercetin-3-yl-α-L-rhamnopyranosyl-(1->2)-β-D-glucopyranoside (55033-90-4) → L-Rhamnose (3615-41-6,478518-52-4) + D-glucose (50-99-7) + isorhamnetin (480-19-3)

Guidance literature:

With hydrogenchloride; water; at 100 ℃; for 2h;

DOI:10.21608/ejchem.2019.18470.2139

Downstream raw materials:

L-Rhamnose

D-glucose

isorhamnetin

Refernces