(2β,5β,8Alpha,9β,10Alpha,12Alpha)-2,9,10-Triacetoxy-13-Oxo-3,11-Cyclotax-4(20)-En-5-Yl (2E)-3-Phenylacrylate

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Formula C35H42O9
IUPAC Name ethanol; formaldehyde; (6r,7s)-1-(2-hydroxyethynyl)-5,13,14-trimethylene-8-(oxomethylene)-9-oxadispiro[5.0.67.56]octadeca-3,11,16-triene-2,10,15,18-tetrone
Molecular Mass 606.703 g·mol−1
Heat of Formation -1530.9 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 711.85 Å 3
Surface Area 489.94 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
InChIKey RDKGWOCOLMOGRF-DFVHPHDMSA-N
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