Brevetoxin A
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Brevetoxin A
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CAS No:
98112-41-5
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Formula:
C49H70O13
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Chemical Name:
Brevetoxin A
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Synonyms:
Brevetoxin A;Ptychodiscusbrevis toxin 1;Brevetoxin PbTx 1;PbTx 1;GB 1;Brevetoxin 1;85087-27-0
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CAS No:
Description
ChEBI: A ciguatoxin comprising a linear sequence of ten trans-fused five-, six-, eight- and nine-membered rings.
Computed Properties
Molecular Weight:867.1
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:3
Exact Mass:866.48164228
Monoisotopic Mass:866.48164228
Topological Polar Surface Area:147
Heavy Atom Count:62
Complexity:1720
Undefined Atom Stereocenter Count:22
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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