(2E,4E)-5-{(1R,7S,8S,9R)-7-Acetoxy-4-[(Benzyloxy)Carbonyl]-9-Methyl-11-Oxo-10-Oxatricyclo[6.3.2.0~1,7~]Tridec-3-En-9-Yl}-2-Methyl-2,4-Pentadienoic Acid

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Formula C29H32O8
IUPAC Name (2e,4e)-5-{(1r,7s,8s,9r)-7-acetoxy-4-[(benzyloxy)carbonyl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0 1,7 ]tridec-3-en-9-yl}-2-methyl-2,4-pentadienoic acid
Molecular Mass 508.560 g·mol−1
Heat of Formation -1294.6 ± 16.7 kJ·mol−1
Dipole Moment 6.31 ± 1.08 D
Volume 602.25 Å 3
Surface Area 451.8 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
InChIKey XHPNLBVALGFSQD-NYRWZICESA-N
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