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Pumiliotoxin mono O-acetate [4-Methyl-6-(1-hydroxy-1-methylbutyl)spiro[tetrahydropyran-2,6'-indolizidine]-7',8'-diol mono-O-acetate]
SpectraBase Compound ID 8W5d7D83Cu6
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-TXSCXMOLSA-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 Km3rVkTvdgv
Name Pumiliotoxin [4-Methyl-6-(1-hydroxy-1-methylbutyl)spiro[tetrahydropyran-2,6'-indolizidine]-7',8'-diol ]
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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-TXSCXMOLSA-N
Molecular Weight 341.492 g/mol
SMILES O[C@@]1(C([C@]2(CN3[C@@]1(CCC3)[H])O[C@@](C(O)(CCC)C)([H])C[C@](C2)(C)[H])O)C
SPLASH splash10-001i-9010000000-36ffba3d736cc24b4a1a
Source of Spectrum H1-50-911-0
Synonyms Pumiliotoxin [4-Methyl-6-(1-hydroxy-1-methylbutyl)spiro[tetrahydropyran-2,6'-indolizidine]-7',8'-diol] Pumiliotoxin [4-Methyl-6-(1-hydroxy-1-methylbutyl)spiro[tetrahydropyran-2,6'-indolizidine]-7',8'-diol] isomer Pumiliotoxin[4-Methyl-6-(1-hydroxy-1-methylbutyl)spiro[tetrahydropyran-2,6'-indolizidine]-7',8'-diol]
Wiley ID 816875