Pectolinarin

Base Information

• Chemical Name: Pectolinarin
• CAS No.: 28978-02-1
• Molecular Formula: C29H34O15
• Molecular Weight: 622.58
• Hs Code.: 29389090
• UNII: BY44L9O1RR
• DSSTox Substance ID: DTXSID70951590
• Nikkaji Number: J17.304E
• Wikipedia: Pectolinarin
• Wikidata: Q15425291
• Metabolomics Workbench ID: 134346
• ChEMBL ID: CHEMBL445978
• Mol file: 28978-02-1.mol

Synonyms:7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one;pectolinarin

Chemical Property of Pectolinarin

Chemical Property:

• Vapor Pressure: 1.5E-34mmHg at 25°C
• Refractive Index: 1.682
• Boiling Point: 896.449 °C at 760 mmHg
• PKA: 6.09±0.40(Predicted)
• Flash Point: 292.444 °C
• PSA: 227.20000
• Density: 1.61 g/cm³
• LogP: -0.78670
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly, Heated), Pyridine (Slightly)
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 622.18977037
• Heavy Atom Count: 44
• Complexity: 1000

Purity/Quality:

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

Pectolinarin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC)O)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC)O)O)O)O)O)O
• Uses: antiinflammatory, analgesic Pectolinarin is obtained from Linaria reflexa, and is a flavonoid displaying antioxidant activity in vitro.

Technology Process of Pectolinarin

There total 3 articles about Pectolinarin 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:

acetylpectolinarin → pectolinarin (28978-02-1,134-33-8)

Guidance literature:

With potassium hydroxide; for 0.5h;

DOI:10.1007/BF01373784

Reference yield:

O2,O3,O4-triacetyl-O6-(tri-O-acetyl-α-L-rhamnopyranosyl)-α-D-glucopyranosyl bromide (4154-21-6) → pectolinarin (28978-02-1,134-33-8)

Guidance literature:

With sodium hydroxide; acetone; Erwaermen des Reaktionsprodukts mit wss.-aethanol. Natronlauge;

Reference yield:

→ pectolinarin (28978-02-1,134-33-8)

Guidance literature:

DOI:10.1007/BF00563885

upstream raw materials:

O²,O³,O⁴-triacetyl-O⁶-(tri-O-acetyl-α-L-rhamnopyranosyl)-α-D-glucopyranosyl bromide

Downstream raw materials:

pectolinarigenin

peracetylpectolinarin

Acetic acid 6-methoxy-2-(4-methoxy-phenyl)-4-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-((2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-methyl-tetrahydro-pyran-2-yloxymethyl)-tetrahydro-pyran-2-yloxy]-4H-chromen-5-yl ester

Refernces