(1R,12R,13R,16S,18R)-6-Hydroxy-16,18-Dimethyl-2,9-Dioxo-17-Oxapentacyclo[11.4.1.0~1,10~.0~3,8~.0~12,16~]Octadeca-3,5,7,10-Tetraene-18-Carbaldehyde

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Formula C20H18O5
IUPAC Name (1r,12r,13r,16s,18r)-6-hydroxy-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.0 1,10 .0 3,8 .0 12,16 ]octadeca-3,5,7,10-tetraene-18-carbaldehyde
Molecular Mass 338.354 g·mol−1
Heat of Formation -620.7 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 376.18 Å 3
Surface Area 306.49 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
InChIKey NMLFNFAGOHGLMD-ACTXYHSCSA-N
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