Ciguatoxin 2
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Ciguatoxin 2
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CAS No:
142185-85-1
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Formula:
C60H86O18
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Chemical Name:
Ciguatoxin 2
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Synonyms:
Ciguatoxin,54-deoxy-,(52S)-;Spiro[furan-2(3H),2′(3′H)-oxepino[2′′′′,3′′′′:5′′′,6′′′]pyrano[2′′′,3′′′:5′′,6′′]pyrano[2′′,3′′:6′,7′]oxepino[2′,3′:6,7]oxepino[3,2-b]pyrano[2′′′′′,3′′′′′:6′′′′,7′′′′]oxepino[2′′′′,3′′′′:5′′′,6′′′]pyrano[2′′′,3′′′:7′′,8′′]oxocino[2′′,3′′:5′,6′]pyrano[2′,3′:6,7]oxepino[2,3-h]oxonin],ciguatoxin deriv.;(52S)-54-Deoxyciguatoxin;Ciguatoxin CTX 2;Ciguatoxin 2;CTX 2;52-Epiciguatoxin 3;Ciguatoxin 2A2;52-epi-54-Deoxyciguatoxin;Pacific ciguatoxin 2;52-epi-54-Deoxyciguatoxin-1B;P-CTX-2
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CAS No:
Characteristics
221
3.4
1.0627 (rough estimate)
763.68°C (rough estimate)
1.6240 (estimate)
Peritoneal-mouse LD50: 0.001 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:1095.3
XLogP3:3.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:3
Exact Mass:1094.58141589
Monoisotopic Mass:1094.58141589
Topological Polar Surface Area:221
Heavy Atom Count:78
Complexity:2260
Defined Atom Stereocenter Count:32
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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