Debromoaplysiatoxin
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Debromoaplysiatoxin
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CAS No:
52423-28-6
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Formula:
C32H48O10
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Chemical Name:
Debromoaplysiatoxin
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Synonyms:
2,6,10,17-Tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione,13-hydroxy-9-[(1R)-1-hydroxyethyl]-3-[(1S,4S)-4-(5-hydroxyphenyl)-4-methoxy-1-methylbutyl]-4,14,16,16-tetramethyl-,(1S,3R,4S,5S,9R,13S,14R)-;Aplysiatoxin,17-debromo-;2,6,10,17-Tetraoxatricyclo[11.3.1.11,5]octadecane,aplysiatoxin deriv.;(1S,3R,4S,5S,9R,13S,14R)-13-Hydroxy-9-[(1R)-1-hydroxyethyl]-3-[(1S,4S)-4-(5-hydroxyphenyl)-4-methoxy-1-methylbutyl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione;Debromoaplysiatoxin;NSC 271679
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CAS No:
Description
ChEBI: A member of the class of aplysiatoxins that has the structure of the parent aplysiatoxin, but is lacking the bromo substituent on the benzene ring at the position para to the phenolic hydroxy group. It is a cyanotoxin produced by several speci s of freshwater and marine cyanobacteria, as well as algae and molluscs.
Drug Information
Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included. (See all compounds classified as Carcinogens.)
debromoaplysiatoxin
Computed Properties
Molecular Weight:592.7
XLogP3:4.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:592.32474772
Monoisotopic Mass:592.32474772
Topological Polar Surface Area:141
Heavy Atom Count:42
Complexity:956
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes