(1β,2Alpha,5β,7β,10β,13Alpha)-4,10-Diacetoxy-1,7,13-Trihydroxy-9-Oxo-5,20-Epoxytax-11-En-2-Yl Benzoate

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Properties Simple | Detailed

Formula C31H38O11
IUPAC Name carbon dioxide; formaldehyde; (3r)-4-hydroperoxy-7-[4-(2-hydroxyethynyl)-2h-oxet-3-yl]-2,6,12-trimethylene-spiro[2.9]dodecane-5,8,9,11-tetrone
Molecular Mass 586.627 g·mol−1
Heat of Formation -1831.7 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 660.05 Å 3
Surface Area 456.91 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey OVMSOCFBDVBLFW-JQULDETKSA-N
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Elements H C O