(1R,3S,4S,5Z,7R,8S)-7-[(2E,4E)-2,4-Hexadienoyl]-3-Hydroxy-5-[(2E,4E)-1-Hydroxy-2,4-Hexadien-1-Ylidene]-8-[(2S)-3-Hydroxy-4-Methyl-5-Oxo-2,5-Dihydro-2-Furanyl]-1,3-Dimethylbicyclo[2.2.2]Octane-2,6-Dione

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Properties Simple | Detailed

Formula C25H14O8
IUPAC Name formaldehyde; (5z)-3-methylene-5-[(5z)-5-(oxiran-2-ylidene)-3,7-dioxo-2-prop-1-ynyl-6-(3-prop-1-ynyloxiren-2-yl)inden-4-ylidene]tetrahydrofuran-2,4-dione
Molecular Mass 442.374 g·mol−1
Heat of Formation -1124.7 ± 16.7 kJ·mol−1
Dipole Moment 7.15 ± 1.08 D
Volume 577.19 Å 3
Surface Area 461.27 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
InChIKey KTHCTFNYBLHZHJ-FMUXWJTNSA-N
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