Aplysiatoxin
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Aplysiatoxin
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CAS No:
52659-57-1
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Formula:
C32H47BrO10
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Chemical Name:
Aplysiatoxin
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Synonyms:
2,6,10,17-Tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione,3-[(1S,4S)-4-(2-bromo-5-hydroxyphenyl)-4-methoxy-1-methylbutyl]-13-hydroxy-9-[(1R)-1-hydroxyethyl]-4,14,16,16-tetramethyl-,(1S,3R,4S,5S,9R,13S,14R)-;Aplysiatoxin;2,6,10,17-Tetraoxatricyclo[11.3.1.11,5]octadecane,aplysiatoxin deriv.;(1S,3R,4S,5S,9R,13S,14R)-3-[(1S,4S)-4-(2-Bromo-5-hydroxyphenyl)-4-methoxy-1-methylbutyl]-13-hydroxy-9-[(1R)-1-hydroxyethyl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione;[1S-[1R*,3S*(1R*,4R*),4R*,5R*,9S*(S*),13R*,14S*]]-3-[4-(2-Bromo-5-hydroxyphenyl)-4-methoxy-1-methylbutyl]-13-hydroxy-9-(1-hydroxyethyl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione;2,6,10,17-Tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione,3-[4-(2-bromo-5-hydroxyphenyl)-4-methoxy-1-methylbutyl]-13-hydroxy-9-(1-hydroxyethyl)-4,14,16,16-tetramethyl-,[1S-[1R*,3S*(1R*,4R*),4R*,5R*,9S*(S*),13R*,14S*]]-
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CAS No:
Description
ChEBI: The parent member of the class of aplysiatoxins. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs.
Aplysiatoxin is the parent member of the class of aplysiatoxins. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs. It has a role as a carcinogenic agent, a cyanotoxin, a protein kinase C agonist, a marine metabolite and an algal metabolite. It is a member of aplysiatoxins, a cyclic hemiketal, an ether, a secondary alcohol, a bromophenol, an organic heterotricyclic compound and a spiroketal.
Characteristics
141
4.8
Peritoneal-mouse LD50: 0.118 mg/kg
Flammable, spicy and irritating smoke emitted from the fire
Safety Information
Treasury is low temperature, ventilated, dry; stored separately from food raw materials
Computed Properties
Molecular Weight:671.6
XLogP3:4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:670.23526
Monoisotopic Mass:670.23526
Topological Polar Surface Area:141
Heavy Atom Count:43
Complexity:993
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes