(2E,4E)-5-[(1R,3R,7S,8S,9R)-7-Acetoxy-3-Hydroxy-4,9-Dimethyl-11-Oxo-10-Oxatricyclo[6.3.2.0~1,7~]Tridec-4-En-9-Yl]-2-Methyl-2,4-Pentadienoic Acid

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Formula C22H28O7
IUPAC Name (2e,4e)-5-[(1r,3r,7s,8s,9r)-7-acetoxy-3-hydroxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0 1,7 ]tridec-4-en-9-yl]-2-methyl-2,4-pentadienoic acid
Molecular Mass 404.454 g·mol−1
Heat of Formation -1247.6 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 483.87 Å 3
Surface Area 376.33 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
InChIKey GFNSUMXEBWZIRI-OXLLHMEESA-N
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