(5Z)-7-{(1S,2R,3R,4R)-3-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-7-Oxabicyclo[2.2.1]Hept-2-Yl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C21H34O4
IUPAC Name (z)-7-[(1r,2r,3s,4s)-3-[(e,3s)-3-hydroxyoct-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Molecular Mass 350.492 g·mol−1
Heat of Formation -875.3 ± 16.7 kJ·mol−1
Dipole Moment 1.43 ± 1.08 D
Volume 463.13 Å 3
Surface Area 373.31 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,4s,5s,6r)-5-[(e,3s)-3-hydroxyoct-1-enyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
  • sq-24775
InChIKey IWSCITFBDCQRGG-WVDJAODQSA-N
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Elements H C O