Oenanthotoxin
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Oenanthotoxin
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CAS No:
20311-78-8
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Formula:
C17H22O2
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Chemical Name:
Oenanthotoxin
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Synonyms:
2,8,10-Heptadecatriene-4,6-diyne-1,14-diol,(2E,8E,10E,14R)-;2,8,10-Heptadecatriene-4,6-diyne-1,14-diol,(E,E,E)-;(2E,8E,10E,14R)-2,8,10-Heptadecatriene-4,6-diyne-1,14-diol;Enanthotoxin;Oenanthotoxin;1392-72-9;34477-18-4;1137538-23-8
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CAS No:
Characteristics
40.5
3.4
1.0756 (rough estimate)
87 °C
341.61°C (rough estimate)
Average LD i.p. in mice: 0.83 mg/kg (Clarke); LD50 i.p. in rats: 2.94 mg/kg (Martinez-Honduvilla)
D15 +30.5° (c = 2.0 in methanol)
Computed Properties
Molecular Weight:258.35
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:258.161979940
Monoisotopic Mass:258.161979940
Topological Polar Surface Area:40.5
Heavy Atom Count:19
Complexity:429
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes