(3Z,5E,7R,8S,10R,13S,14S,15S,17S,20R,21S,22S)-22-[(2S,3Z)-3,5-Hexadien-2-Yl]-8,10,14,20-Tetrahydroxy-7,13,15,17,21-Pentamethyloxacyclodocosa-3,5-Dien-2-One

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Properties Simple | Detailed

Formula C28H20O6
IUPAC Name (13z,18z)-18-methyl-3,9,14-trimethylene-13-(2-methylenecyclopropylidene)-11-(oxomethylene)-12-oxabicyclo[17.1.0]icos-18-en-4,16-diyne-2,6,8,15-tetrone
Molecular Mass 452.455 g·mol−1
Heat of Formation -1318.8 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 713.36 Å 3
Surface Area 507.19 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
InChIKey AYYKNICAICRYAH-NGJLYEOCSA-N
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