(1S,2S,3R,4S,7R,9S,10S,11S,14S)-4-Acetoxy-9,11,14-Trihydroxy-10,13,16,16-Tetramethyl-18-Oxo-6,17-Dioxapentacyclo[9.4.3.0~1,12~.0~3,10~.0~4,7~]Octadec-12-En-2-Yl Benzoate

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Formula C29H34O10
IUPAC Name (1s,2s,3r,4s,7r,9s,10s,11s,14s)-4-acetoxy-9,11,14-trihydroxy-10,13,16,16-tetramethyl-18-oxo-6,17-dioxapentacyclo[9.4.3.0 1,12 .0 3,10 .0 4,7 ]octadec-12-en-2-yl benzoate
Molecular Mass 542.574 g·mol−1
Heat of Formation -1656.6 ± 16.7 kJ·mol−1
Dipole Moment 6.85 ± 1.08 D
Volume 601.72 Å 3
Surface Area 415.32 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
InChIKey CIHPBJOPSVVYIO-RFIZPCKGSA-N
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