Plantaginin

Base Information

• Chemical Name: Plantaginin
• CAS No.: 26046-94-6
• Molecular Formula: C21H20 O11
• Molecular Weight: 448.383
• DSSTox Substance ID: DTXSID601318276
• Nikkaji Number: J510.510B
• Wikidata: Q27151393
• Metabolomics Workbench ID: 127940
• ChEMBL ID: CHEMBL2312739
• Mol file: 26046-94-6.mol

Synonyms:plantaginin

Chemical Property of Plantaginin

Chemical Property:

• Boiling Point: 837.2±65.0 °C(Predicted)
• PKA: 5.94±0.40(Predicted)
• PSA: 190.28000
• Density: 1.713±0.06 g/cm3(Predicted)
• LogP: -0.24450
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 448.10056145
• Heavy Atom Count: 32
• Complexity: 706

Purity/Quality:

Analysis control,HPLC≥98% ^*data from raw suppliers

Scutellarein-7-O-glucoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
• Isomeric SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O

Technology Process of Plantaginin

There total 6 articles about Plantaginin 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: 84.0%

C43H36O11 → plantaginin (26046-94-6)

Guidance literature:

With 15 % Pd(OH)2/C; hydrogen; In methanol; at 40 ℃; for 3h;

DOI:10.1016/j.tet.2020.130950

Reference yield: 41.0%

C33H32O17 → plantaginin (26046-94-6)

Guidance literature:

With sodium hydroxide; In chloroform; at 0 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2012.11.002

Reference yield:

β-D-glucose pentaacetate (604-69-3) → plantaginin (26046-94-6)

Guidance literature:

Multi-step reaction with 3 steps

1: phosphorus; bromine / water / 25 °C

2: copper(II) sulfate; silver(II) oxide; quinoline / 12 h / 25 °C

3: sodium hydroxide / chloroform / 0 °C / Inert atmosphere

With quinoline; silver(II) oxide; phosphorus; bromine; copper(II) sulfate; sodium hydroxide; In chloroform; water;

DOI:10.1016/j.bmcl.2012.11.002

upstream raw materials:

β-D-glucose pentaacetate

4,5,6,7-tetra-O-acetylflavone

7-hydroxy-5,6-diacetoxy-2-(4'-acetoxyphenyl)-4H-1-benzopyran-4-one

Downstream raw materials:

scutellarein

D-Glucose