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Brevetoxin A

Base Information
  • Chemical Name:Brevetoxin A
  • CAS No.:98112-41-5
  • Molecular Formula:C49H70 O13
  • Molecular Weight:867.07
  • Hs Code.:
  • DSSTox Substance ID:DTXSID60879996
  • Nikkaji Number:J139.288C
  • Wikidata:Q27130932
  • Metabolomics Workbench ID:61545
  • ChEMBL ID:CHEMBL2152260
  • Mol file:98112-41-5.mol
Brevetoxin A

Synonyms:Brevetoxin A;GB-1 toxin

Suppliers and Price of Brevetoxin A
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
Total 7 raw suppliers
Chemical Property of Brevetoxin A
Chemical Property:
  • PSA:146.67000 
  • LogP:5.95070 
  • XLogP3:5.3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:13
  • Rotatable Bond Count:3
  • Exact Mass:866.48164228
  • Heavy Atom Count:62
  • Complexity:1720
Purity/Quality:

97% *data from raw suppliers

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

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1CC2C(CC(=O)O2)OC3CC4C(CC(C5C(O4)CC=CCC6C(O5)CC=CC7C(O6)CCCC8C(O7)(CC9C(O8)CC2C(O9)C(CC(O2)CC(=C)C=O)O)C)C)OC3(C1)C
  • Isomeric SMILES:C[C@@H]1C[C@H]2[C@@H](CC(=O)O2)O[C@H]3C[C@@H]4[C@H](C[C@@H]([C@@H]5[C@@H](O4)C/C=C\C[C@@H]6[C@@H](O5)C/C=C\[C@@H]7[C@@H](O6)CCC[C@@H]8[C@@](O7)(C[C@@H]9[C@@H](O8)C[C@@H]2[C@@H](O9)[C@H](C[C@H](O2)CC(=C)C=O)O)C)C)O[C@@]3(C1)C
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