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Acetic acid (2R,3S)-3-((E)-2-acetoxy-vinyl)-5,7-di-tert-butyl-2,3-dihydro-benzo[1,4]dioxin-2-yl ester

View entire compound with spectra: 1 MS (GC)

Acetic acid (2R,3S)-3-((E)-2-acetoxy-vinyl)-5,7-di-tert-butyl-2,3-dihydro-benzo[1,4]dioxin-2-yl ester
SpectraBase Compound ID AlbyrZ5pd7h
InChI InChI=1S/C22H30O6/c1-13(23)25-10-9-17-20(26-14(2)24)28-18-12-15(21(3,4)5)11-16(19(18)27-17)22(6,7)8/h9-12,17,20H,1-8H3/b10-9+/t17-,20-/m0/s1
InChIKey PFSVSIDMKILZAO-KQLHMXSUSA-N
Mol Weight 390.48 g/mol
Molecular Formula C22H30O6
Exact Mass 390.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bl5cRa9WoWL
Name Acetic acid (2R,3S)-3-((E)-2-acetoxy-vinyl)-5,7-di-tert-butyl-2,3-dihydro-benzo[1,4]dioxin-2-yl ester
Alternate Name(s) (E)-2-[(2S,3R)-3-(acetyloxy)-6,8-ditert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl]ethenyl acetate 2-Acetoxy-3-(1-acetoxyethenyl)-5,7-bis(1,1-dimethylethyl)-1,4-benzodioxine acetic acid[(E)-2-[(2R,3S)-2-acetoxy-5,7-ditert-butyl-2,3-dihydro-1,4-benzodioxin-3-yl]vinyl]ester acetic acid[(E)-2-[(2R,3S)-2-acetyloxy-5,7-ditert-butyl-2,3-dihydro-1,4-benzodioxin-3-yl]ethenyl]ester [(E)-2-[(2R,3S)-2-acetoxy-5,7-ditert-butyl-2,3-dihydro-1,4-benzodioxin-3-yl]vinyl]acetate [(E)-2-[(2R,3S)-2-acetyloxy-5,7-ditert-butyl-2,3-dihydro-1,4-benzodioxin-3-yl]ethenyl]acetate [(E)-2-[(2R,3S)-2-acetyloxy-5,7-ditert-butyl-2,3-dihydro-1,4-benzodioxin-3-yl]ethenyl]ethanoate acetic acid [(E)-2-[(2R,3S)-2-acetyloxy-5,7-ditert-butyl-2,3-dihydro-1,4-benzodioxin-3-yl]ethenyl] ester [(E)-2-[(2R,3S)-2-acetyloxy-5,7-ditert-butyl-2,3-dihydro-1,4-benzodioxin-3-yl]ethenyl] acetate [(E)-2-[(2R,3S)-2-acetoxy-5,7-ditert-butyl-2,3-dihydro-1,4-benzodioxin-3-yl]vinyl] acetate [(E)-2-[(2R,3S)-2-acetyloxy-5,7-ditert-butyl-2,3-dihydro-1,4-benzodioxin-3-yl]ethenyl] ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C22H30O6
InChI InChI=1S/C22H30O6/c1-13(23)25-10-9-17-20(26-14(2)24)28-18-12-15(21(3,4)5)11-16(19(18)27-17)22(6,7)8/h9-12,17,20H,1-8H3/b10-9+/t17-,20-/m0/s1
InChIKey PFSVSIDMKILZAO-KQLHMXSUSA-N
Molecular Weight 390.476 g/mol
SMILES c12O[C@](\C=C\OC(=O)C)([H])[C@](Oc2cc(cc1C(C)(C)C)C(C)(C)C)(OC(=O)C)[H]
SPLASH splash10-0006-0009000000-941d1cee53126474bf72
Source of Spectrum KC-0-446-5
Wiley ID 785209