Products 98112-41-5

CAS 98112-41-5 appears in our catalog under these names: Brevetoxin A, Brevetoxin 1 solution. Offered by: Biosynth, Sigma-Aldrich. Available pack sizes: 1mg, 0.5ML.

Brevetoxin A
Biosynth
  • size: 1mg
  • Variants: 1
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Brevetoxin 1 solution
Sigma-Aldrich
  • size: 0.5ML
  • Variants: 1
from 1996.00
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Structural formula: {0} (CAS {1})

Brevetoxin A is a ciguatoxin comprising a linear sequence of ten trans-fused five-, six-, eight- and nine-membered rings.

Source: ChEBI

Identity
Molecular formulaC49H70O13
Molecular weight867.1 g/mol
IUPAC name2-[[(1S,3R,4S,6S,8R,10R,12S,16R,18S,20R,22S,24Z,27R,29S,33R,35S,37R,39R,41S,42S,44R,46S,48R,49Z)-41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl]methyl]prop-2-enal
InChIKeyMGVIMUPHKPHTKF-HQUFVKSZSA-N
SMILESC[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

Computed by PubChem (NCBI)

Synonyms: Brevetoxin A, Brevetoxin PbTx 1, Ptychodiscus brevis toxin 1, MGVIMUPHKPHTKF-HQUFVKSZSA-N