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Allopumiliotoxin
SpectraBase Compound ID 90lM66wwxER
InChI InChI=1S/C16H29NO2/c1-4-5-7-12(2)10-13-11-17-9-6-8-14(17)16(3,19)15(13)18/h10,12,14-15,18-19H,4-9,11H2,1-3H3/b13-10+/t12-,14+,15-,16-/m1/s1
InChIKey LWXKAVPXEDNHLL-VRUXTKGDSA-N
Mol Weight 267.41 g/mol
Molecular Formula C16H29NO2
Exact Mass 267.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QMJod0M3QE
Name (6E)-8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
Alternate Name(s) (6E)-8-methyl-6-(2-methylhexylidene)indolizidine-7,8-diol Allopumiliotoxin 267a
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Formula C16H29NO2
InChI InChI=1S/C16H29NO2/c1-4-5-7-12(2)10-13-11-17-9-6-8-14(17)16(3,19)15(13)18/h10,12,14-15,18-19H,4-9,11H2,1-3H3/b13-10+/t12-,14+,15-,16-/m1/s1
InChIKey LWXKAVPXEDNHLL-VRUXTKGDSA-N
Molecular Weight 267.413 g/mol
SMILES O[C@]1([C@@](\C(CN2[C@]1(CCC2)[H])=C\[C@@](CCCC)(C)[H])(O)[H])C
SPLASH splash10-001i-9330000000-8d640ecaa8c27879db12
Source of Spectrum C-115-11405-1
Wiley ID 1271294