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PARASITENONE-PERACETYLATED;(4S,5S,6S)-5,6-EPOXY-4-ACETOXY-3-ACETOXYMETHYLCYCLOHEX-2-EN-1-ONE
SpectraBase Compound ID B1gqaMfO6iy
InChI InChI=1S/C11H12O6/c1-5(12)15-4-7-3-8(14)10-11(17-10)9(7)16-6(2)13/h3,9-11H,4H2,1-2H3/t9-,10+,11-/m0/s1
InChIKey JFVHJJQWUXZARJ-AXFHLTTASA-N
Mol Weight 240.21 g/mol
Molecular Formula C11H12O6
Exact Mass 240.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AdftyiwJEsa
Name [(1S,2S,6S)-2-acetoxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate
Appearance Colorless oil
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Formula C11H12O6
InChI InChI=1S/C11H12O6/c1-5(12)15-4-7-3-8(14)10-11(17-10)9(7)16-6(2)13/h3,9-11H,4H2,1-2H3/t9-,10+,11-/m0/s1
InChIKey JFVHJJQWUXZARJ-AXFHLTTASA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1021/np010450k
Molecular Weight 240.211 g/mol
Reported Formula C11H12O6
SMILES [C@@]12(C(C=C([C@@]([C@@]2(O1)[H])(OC(C)=O)[H])COC(C)=O)=O)[H]
SPLASH splash10-000i-0900000000-3c112fd7f04e389bf0a3
Source of Spectrum G4-65-795-1a
Wiley ID 1881120