(1S,4R,5E,8R,9R)-8-Hydroxy-6,10,10-Trimethyl-2-Methylene-3,7-Dioxobicyclo[7.2.0]Undec-5-En-4-Yl Acetate

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Properties Simple | Detailed

Formula C17H22O5
IUPAC Name [(1s,4r,5e,8r,9r)-8-hydroxy-6,10,10-trimethyl-2-methylene-3,7-dioxo-4-bicyclo[7.2.0]undec-5-enyl] acetate
Molecular Mass 306.354 g·mol−1
Heat of Formation -761.7 ± 16.7 kJ·mol−1
Dipole Moment 1.81 ± 1.08 D
Volume 377.14 Å 3
Surface Area 305.98 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2r,4e,6r,9s)-2-hydroxy-4,11,11-trimethyl-8-methylene-3,7-dioxo-6-bicyclo[7.2.0]undec-4-enyl] acetate
  • [(1r,2r,4e,6r,9s)-2-hydroxy-4,11,11-trimethyl-8-methylidene-3,7-dioxo-6-bicyclo[7.2.0]undec-4-enyl] acetate
  • [(1r,2r,4e,6r,9s)-2-hydroxy-4,11,11-trimethyl-8-methylidene-3,7-dioxo-6-bicyclo[7.2.0]undec-4-enyl] ethanoate
  • acetic acid [(1r,2r,4e,6r,9s)-2-hydroxy-4,11,11-trimethyl-8-methylene-3,7-dioxo-6-bicyclo[7.2.0]undec-4-enyl] ester
InChIKey BBRNVDBLOTVLMB-WDVDPGPOSA-N
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