(5Z)-7-{(5S)-5-[(1E)-3-Hydroxy-1-Octen-1-Yl]-2-Oxabicyclo[2.2.1]Hept-6-Yl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C21H34O4
IUPAC Name (e)-7-[(1r,4s,5s,6r)-5-[(e,3s)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
Molecular Mass 350.492 g·mol−1
Heat of Formation -817.7 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 470.93 Å 3
Surface Area 431.11 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 3.77 ± eV
Point Group Symmetry C1
InChIKey DJKDIKIDYDXHDD-JVCJGEKZSA-N
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Elements H C O