(1R,5S,6R,7S,8R,9S)-9-Acetoxy-8-Methyl-4-Methylene-3-Oxo-7-(3-Oxo-1-Propen-2-Yl)-8-Vinyl-2-Oxabicyclo[3.3.1]Non-6-Yl 2-Hydroxy-2-Methylpropanoate

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Properties Simple | Detailed

Formula C21H26O8
IUPAC Name [(1s,5r,6r,7s,8r,9s)-9-acetoxy-7-(1-formylvinyl)-6-methyl-2-methylene-3-oxo-6-vinyl-4-oxabicyclo[3.3.1]nonan-8-yl] 2-hydroxy-2-methyl-propanoate
Molecular Mass 406.426 g·mol−1
Heat of Formation -1283.2 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 476.13 Å 3
Surface Area 363.58 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-2-methyl-propionic acid [(1r,2r,3s,4r,5s,9s)-9-acetoxy-3-(1-formylvinyl)-7-keto-2-methyl-6-methylene-2-vinyl-8-oxabicyclo[3.3.1]nonan-4-yl] ester
  • 2-hydroxy-2-methylpropanoic acid [(1r,2r,3s,4r,5s,9s)-9-acetoxy-3-(1-formylvinyl)-2-methyl-6-methylene-7-oxo-2-vinyl-8-oxabicyclo[3.3.1]nonan-4-yl] ester
  • [(1r,2r,3s,4r,5s,9s)-9-acetoxy-3-(1-formylvinyl)-2-methyl-6-methylene-7-oxo-2-vinyl-8-oxabicyclo[3.3.1]nonan-4-yl] 2-hydroxy-2-methyl-propanoate
  • [(1r,2r,3s,4r,5s,9s)-9-acetyloxy-2-ethenyl-2-methyl-6-methylidene-7-oxo-3-(3-oxoprop-1-en-2-yl)-8-oxabicyclo[3.3.1]nonan-4-yl] 2-hydroxy-2-methyl-propanoate
  • [(1r,2r,3s,4r,5s,9s)-9-acetyloxy-2-ethenyl-2-methyl-6-methylidene-7-oxo-3-(3-oxoprop-1-en-2-yl)-8-oxabicyclo[3.3.1]nonan-4-yl] 2-hydroxy-2-methylpropanoate
InChIKey YLSANYPALPIPQU-DYZKBYPLSA-N
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