Stagonolide A

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Properties Simple | Detailed

Formula C12H18O4
IUPAC Name (2r,3r,5e)-3-hydroxy-2-propyl-3,7,8,9-tetrahydro-2h-oxecine-4,10-dione
Molecular Mass 226.269 g·mol−1
Heat of Formation -754.3 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 280.95 Å 3
Surface Area 248.99 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (6e,9r,10r)-9-hydroxy-10-propyl-4,5,9,10-tetrahydro-3h-oxecine-2,8-dione
  • (6e,9r,10r)-9-hydroxy-10-propyl-4,5,9,10-tetrahydro-3h-oxecine-2,8-quinone
InChIKey LGMKFKSSLVELLO-STBQQDIQSA-N
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Elements H C O