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Allopumiliotoxin
SpectraBase Compound ID 5TYoGkqS3CC
InChI InChI=1S/C19H31NO2/c1-5-14(2)8-6-9-15(3)12-16-13-20-11-7-10-17(20)19(4,22)18(16)21/h6,8-9,12,15,17-18,21-22H,5,7,10-11,13H2,1-4H3/b9-6+,14-8+,16-12+
InChIKey OBBQOUONKMSISQ-HKANISCYSA-N
Mol Weight 305.46 g/mol
Molecular Formula C19H31NO2
Exact Mass 305.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2fuFb8Jv8y
Name Allopumiliotoxin
Alternate Name(s) (6E)-6-[(3E,5E)-2,6-dimethyl-3,5-octadienylidene]-8-methyloctahydro-7,8-indolizinediol 6-Methyl-6,7-dihydroxy-8-[2',6'-dimethyl-3',5'-octadienylidene]-1-azabicyclo[4.3.0]nonane (6E)-6-[(3E,5E)-2,6-dimethylocta-3,5-dienylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
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Formula C19H31NO2
InChI InChI=1S/C19H31NO2/c1-5-14(2)8-6-9-15(3)12-16-13-20-11-7-10-17(20)19(4,22)18(16)21/h6,8-9,12,15,17-18,21-22H,5,7,10-11,13H2,1-4H3/b9-6+,14-8+,16-12+
InChIKey OBBQOUONKMSISQ-HKANISCYSA-N
Molecular Weight 305.462 g/mol
SMILES OC1(C(\C(CN2C1CCC2)=C\C(\C=C\C=C\(CC)C)C)O)C
SPLASH splash10-0089-3930000000-bd55ba7febd267056312
Source of Spectrum X2-68-1556-1575
Wiley ID 1610250