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Allopumiliotoxin
SpectraBase Compound ID Jb7h8l2THYw
InChI InChI=1S/C19H35NO4/c1-5-8-17(3,22)15-10-13(2)11-19(24-15)12-20-9-6-7-14(20)18(4,23)16(19)21/h13-16,21-23H,5-12H2,1-4H3/t13-,14?,15+,16+,17?,18-,19?/m1/s1
InChIKey TVKRNRXCYDYICD-BTHHSPEXSA-N
Mol Weight 341.5 g/mol
Molecular Formula C19H35NO4
Exact Mass 341.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MIAw7D69UY
Name Allo-pumiliotoxin
Alternate Name(s) 6,7-Dihydroxy-6-methyl-8-spiro[2'-(1''-hydroxy-1''-methylbutyl)-4'-methyl-tetrahydropyran]-1-azabicyclo[4.3.0]nonane
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Formula C19H35NO4
InChI InChI=1S/C19H35NO4/c1-5-8-17(3,22)15-10-13(2)11-19(24-15)12-20-9-6-7-14(20)18(4,23)16(19)21/h13-16,21-23H,5-12H2,1-4H3/t13-,14?,15+,16+,17?,18-,19?/m1/s1
InChIKey TVKRNRXCYDYICD-BTHHSPEXSA-N
Molecular Weight 341.492 g/mol
SMILES O[C@]1([C@@](C2(CN3C1CCC3)O[C@](C(O)(CCC)C)(C[C@](C2)(C)[H])[H])(O)[H])C
SPLASH splash10-00e9-9900000000-596721bd9ced24358b27
Source of Spectrum X2-68-1556-1575
Wiley ID 1610269