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(1R,5S,8S)-8-Butyl-4-methylene-2,7-dioxabicyclo[3.3,0]octan-3,6-dione ((+-)-canadensolide)
SpectraBase Compound ID KQlVjPPxErT
InChI InChI=1S/C11H14O4/c1-3-4-5-7-9-8(11(13)14-7)6(2)10(12)15-9/h7-9H,2-5H2,1H3/t7-,8-,9-/m0/s1
InChIKey IYSGHKQBSLXKPO-CIUDSAMLSA-N
Mol Weight 210.23 g/mol
Molecular Formula C11H14O4
Exact Mass 210.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LusaBpFyVhH
Name (1R,5S,8S)-8-Butyl-4-methylene-2,7-dioxabicyclo[3.3,0]octan-3,6-dione ((+-)-canadensolide)
Alternate Name(s) (1R,5S,8S)-8-Butyl-4-methylene-2,7-dioxabicyclo[3.3,0]octan-3,6-dione ((+-)-epi-canadensolide) (3aS,6S,6aR)-6-butyl-3-methylenetetrahydrofuro[3,4-b]furan-2,4-dione 8-Butyl-4-methylene-2,7-dioxabicyclo[3.3,0]octan-3,6-dione ((+-)-canadensolide) 8-Butyl-4-methylene-2,7-dioxabicyclo[3.3,0]octan-3,6-dione ((+-)-epi-canadensolide)
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Formula C11H14O4
InChI InChI=1S/C11H14O4/c1-3-4-5-7-9-8(11(13)14-7)6(2)10(12)15-9/h7-9H,2-5H2,1H3/t7-,8-,9-/m0/s1
InChIKey IYSGHKQBSLXKPO-CIUDSAMLSA-N
Molecular Weight 210.229 g/mol
SMILES [C@@]12(C(O[C@]([C@@]2(OC(C1=C)=O)[H])(CCCC)[H])=O)[H]
SPLASH splash10-004i-9000000000-f74a3c9fe181da49638e
Source of Spectrum F-54-14357-2
Wiley ID 809659