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Betrachotoxinin A, 20-alpha-(2,4-dimethyl-1H-pyrrole-3-carboxylate)

Base Information Edit
  • Chemical Name:Betrachotoxinin A, 20-alpha-(2,4-dimethyl-1H-pyrrole-3-carboxylate)
  • CAS No.:23509-16-2
  • Molecular Formula:C31H42 N2 O6
  • Molecular Weight:538.684
  • Hs Code.:
  • Metabolomics Workbench ID:144419
  • NCI Thesaurus Code:C297
  • Pharos Ligand ID:QYSCDP5QR4MG
  • Wikidata:Q105119656
  • Wikipedia:Batrachotoxin
  • Mol file:23509-16-2.mol
Betrachotoxinin A, 20-alpha-(2,4-dimethyl-1H-pyrrole-3-carboxylate)

Synonyms:BATRACHOTOXIN;23509-16-2;[(1R)-1-[(1R,5R,6S,11S,12R,14R)-9,12-Dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl]ethyl] 2,4-dimethyl-1H-pyrrole-3-carboxylate;Betrachotoxinin A, 20-.alpha.-(2,4-dimethyl-1H-pyrrole-3-carboxylate);J-015133;[(1S)-1-[(1R,5R,6S,9R,11S,12R,14R)-9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl]ethyl] 2,4-dimethyl-1H-pyrrole-3-carboxylate;1-(9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl)ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate

Suppliers and Price of Betrachotoxinin A, 20-alpha-(2,4-dimethyl-1H-pyrrole-3-carboxylate)
Supply Marketing:Edit
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
  • American Custom Chemicals Corporation
  • BATRACHOTOXIN 95.00%
  • 5MG
  • $ 497.89
Total 47 raw suppliers
Chemical Property of Betrachotoxinin A, 20-alpha-(2,4-dimethyl-1H-pyrrole-3-carboxylate) Edit
Chemical Property:
  • Vapor Pressure:3E-23mmHg at 25°C 
  • Refractive Index:1.5800 (estimate) 
  • Boiling Point:744°Cat760mmHg 
  • PKA:7.45(at 25℃) 
  • Flash Point:403.8°C 
  • PSA:104.25000 
  • Density:1.34g/cm3 
  • LogP:3.49070 
  • Storage Temp.:Store at -20°C 
  • XLogP3:1.6
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:7
  • Rotatable Bond Count:4
  • Exact Mass:538.30428706
  • Heavy Atom Count:39
  • Complexity:1140
Purity/Quality:

98%Min *data from raw suppliers

BATRACHOTOXIN 95.00% *data from reagent suppliers

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

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1=CNC(=C1C(=O)OC(C)C2=CCC34C2(CC(C56C3=CCC7C5(CCC(C7)(O6)O)C)O)CN(CCO4)C)C
Technology Process of Betrachotoxinin A, 20-alpha-(2,4-dimethyl-1H-pyrrole-3-carboxylate)

There total 1 articles about Betrachotoxinin A, 20-alpha-(2,4-dimethyl-1H-pyrrole-3-carboxylate) 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 2 steps
1: aq. KOH / methanol; H2O
2: aq. NaOH, ClCO2Et / CHCl3
With potassium hydroxide; sodium hydroxide; chloroformic acid ethyl ester; In methanol; chloroform; water;
DOI:10.1021/ja01042a042
Guidance literature:
With potassium hydroxide; In methanol; water;
DOI:10.1021/ja01042a042
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