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6-Methyl-6,7-dihydroxy-8-(2',5'-dimethyl-5'-formyl-4'-hexenylidene)-1-azabicyclo[3.4.0]nonane
SpectraBase Compound ID H90ejDF3a5c
InChI InChI=1S/C17H27NO3/c1-12(6-7-13(2)11-19)9-14-10-18-8-4-5-15(18)17(3,21)16(14)20/h7,9,11-12,15-16,20-21H,4-6,8,10H2,1-3H3/b13-7+,14-9+
InChIKey PHGOLBWIBKITHW-WWCAHYSFSA-N
Mol Weight 293.41 g/mol
Molecular Formula C17H27NO3
Exact Mass 293.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AIdMx4eWkr
Name 6-Methyl-6,7-dihydroxy-8-(2',5'-dimethyl-5'-formyl-4'-hexenylidene)-1-azabicyclo[3.4.0]nonane
Alternate Name(s) Allopumiliotoxin 6-Methyl-6,7-dihydroxy-8-[2'-methyl-(hydroxy)heptadienylidene]-1-azabicyclo[4.3.0]nonane (2E,6E)-6-(7,8-dihydroxy-8-methylhexahydro-6(5H)-indolizinylidene)-2,5-dimethyl-2-hexenal 6-Methyl-6,7-dihydroxy-8-(2',5'-dimethyl-5'-formyl-4'-hexenylidene)-1-azabicyclo[4.3.0]nonane
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Formula C17H27NO3
InChI InChI=1S/C17H27NO3/c1-12(6-7-13(2)11-19)9-14-10-18-8-4-5-15(18)17(3,21)16(14)20/h7,9,11-12,15-16,20-21H,4-6,8,10H2,1-3H3/b13-7+,14-9+
InChIKey PHGOLBWIBKITHW-WWCAHYSFSA-N
Molecular Weight 293.407 g/mol
SMILES OC1(C(\C(CN2C1CCC2)=C\C(C\C=C\(C=O)C)C)O)C
SPLASH splash10-00fu-6590000000-3c1ebfdb35be8dbdd2e3
Source of Spectrum X2-68-1556-1575
Wiley ID 1610202