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

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Properties Simple | Detailed

Formula C22H34O4
IUPAC Name (e)-7-[(1s,2s,3r,4r)-3-[(e,3s)-3-cyclohexyl-3-hydroxy-prop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Molecular Mass 362.503 g·mol−1
Heat of Formation -814.4 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 472.38 Å 3
Surface Area 373.03 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 0.61 ± eV
Point Group Symmetry C1
InChIKey CEHGUSRXHYTTPN-WAIJLDHFSA-N
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Elements H C O