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Dodecahydrohistrionicotoxin
SpectraBase Compound ID Bi1uxnTxvh
InChI InChI=1S/C19H37NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h16-18,20-21H,3-15H2,1-2H3
InChIKey BTKHRQIWTGOESJ-UHFFFAOYSA-N
Mol Weight 295.5 g/mol
Molecular Formula C19H37NO
Exact Mass 295.287515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mMkjdD9vxc
Name (+)-Perhydrohistrionicotoxin
CAS Registry Number 55254-30-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H37NO
InChI InChI=1S/C19H37NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h16-18,20-21H,3-15H2,1-2H3
InChIKey BTKHRQIWTGOESJ-UHFFFAOYSA-N
Molecular Weight 295.511 g/mol
SMILES N1C2(C(C(CCC2)O)CCCC)CCCC1CCCCC
SPLASH splash10-007k-3960000000-e39562bcf627b2e1128f
Source of Spectrum X2-68-1556-1575
Synonyms (+,-)-Epi-perhydrohistrionicotoxin (-)-Epiperhydrohistrionicotoxin (-)-Perhydro-histrionicotoxin 11-butyl-4-pentyl-5-azaspiro[5.5]undecan-10-ol 7-Butyl-2-pentyl-1-azaspiro[5.5]undecan-8-ol Dodecahydro histrionicotoxin 295 11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol
Wiley ID 1610171