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Octahydrohistrionicotoxin

View entire compound with spectra: 1 MS (GC)

Octahydrohistrionicotoxin
SpectraBase Compound ID L4BXvAfClO2
InChI InChI=1S/C19H33NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h3-4,16-18,20-21H,1-2,5-15H2/t16?,17-,18+,19+/m0/s1
InChIKey QVOJHZPSXNUASC-NRHWTYQISA-N
Mol Weight 291.5 g/mol
Molecular Formula C19H33NO
Exact Mass 291.256215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqTqT4nPNQL
Name Octahydrohistrionicotoxin
CAS Registry Number 55475-50-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H33NO
InChI InChI=1S/C19H33NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h3-4,16-18,20-21H,1-2,5-15H2/t16?,17-,18+,19+/m0/s1
InChIKey QVOJHZPSXNUASC-NRHWTYQISA-N
Molecular Weight 291.479 g/mol
SMILES N1C(CCC[C@@]11[C@]([C@@](CCC1)(O)[H])(CCC=C)[H])CCCC=C
SPLASH splash10-0fi3-1790000000-8a7a3a2279374372c357
Source of Spectrum H-57-2603-3
Wiley ID 1294788