(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-[(1s,2r,3s,4r)-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 -880.3 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 463.29 Å 3
Surface Area 385.48 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 0.63 ± eV
Point Group Symmetry C1
InChIKey IWSCITFBDCQRGG-XSQGUIFESA-N
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Elements H C O