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Helenalin

Base Information
  • Chemical Name:Helenalin
  • CAS No.:6754-13-8
  • Molecular Formula:C15H18O4
  • Molecular Weight:262.306
  • Hs Code.:
  • NSC Number:85236
  • UNII:4GUY9L896T
  • DSSTox Substance ID:DTXSID50217868
  • Nikkaji Number:J21.229F
  • Wikipedia:Helenalin
  • Wikidata:Q387505
  • Pharos Ligand ID:V2G9G1GRFY5T
  • Metabolomics Workbench ID:67684
  • ChEMBL ID:CHEMBL338474
  • Mol file:6754-13-8.mol
Helenalin

Synonyms:dihydrohelenalin;helenalin

Suppliers and Price of Helenalin
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
  • TRC
  • Helenalin
  • 0.25mg
  • $ 160.00
  • ChemScene
  • Helenalin 98.29%
  • 500ug
  • $ 270.00
  • ChemScene
  • Helenalin 98.29%
  • 1mg
  • $ 410.00
  • Cayman Chemical
  • Helenalin ≥98%
  • 1mg
  • $ 449.00
  • AK Scientific
  • Helenalin
  • 1mg
  • $ 660.00
  • Adipogen Life Sciences
  • Helenalin ≥96%(HPLC)
  • 1 mg
  • $ 390.00
Total 34 raw suppliers
Chemical Property of Helenalin
Chemical Property:
  • Vapor Pressure:6.18E-11mmHg at 25°C 
  • Melting Point:167-168oC 
  • Refractive Index:1.4300 (estimate) 
  • Boiling Point:473°C at 760 mmHg 
  • PKA:13.29±0.60(Predicted) 
  • Flash Point:179.9°C 
  • PSA:63.60000 
  • Density:1.25g/cm3 
  • LogP:1.24630 
  • Storage Temp.:-20° 
  • Solubility.:Soluble in DMSO (up to 20 mg/ml) or in Ethanol (up to 10 mg/ml). 
  • XLogP3:1.4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:0
  • Exact Mass:262.12050905
  • Heavy Atom Count:19
  • Complexity:506
Purity/Quality:

99% *data from raw suppliers

Helenalin *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Chemical Classes:Biological Agents -> Plant Toxins
  • Canonical SMILES:CC1CC2C(C(C3(C1C=CC3=O)C)O)C(=C)C(=O)O2
  • Isomeric SMILES:C[C@@H]1C[C@@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)O)C(=C)C(=O)O2
  • Description Helenalin (6754-13-8) is a novel sesquiterpene lactone which inhibits NFκB1?and displays potent anti-inflammatory activity2. It suppresses essential immune functions of activated CD4+ T cells by multiple mechanisms.3 Helenalin also inhibits telomerase and this activity may be partially responsible for its anti-tumor effects.4
  • Uses Helenalin is a highly toxic compound, with hepatic and lymphatic tissues particularly vulnerable to its effects. It is believed to be responsible for the toxicity and skin irritation associated with Arnica. If enough of the plant is ingested, the helenalin produces severe gastroenteritis and internal bleeding of the digestive tract.
Technology Process of Helenalin

There total 21 articles about Helenalin 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:
Guidance literature:
Multi-step reaction with 6 steps
1: 76 percent / p-TsOH / CH2Cl2 / 2 h / 0 °C
3: pyridine / 2 h / 0 °C
4: 1,5-Diazabicyclo<5.4.0>undec-5-ene / benzene / 1 h / Ambient temperature
5: 82 percent / acetic acid; H2O / 1.5 h / 45 °C
6: 77 percent / Manganese dioxide / CH2Cl2; benzene / 0.5 h / Ambient temperature
With manganese(IV) oxide; toluene-4-sulfonic acid; 1,5-Diazabicyclo[5.4.0]undec-5-ene; In pyridine; dichloromethane; water; acetic acid; benzene;
DOI:10.1021/jo00151a016
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