Methyl 5-{[(Methoxycarbonyl)Oxy]Carbonyl}-4,10-Dimethyl-13-Oxo-14-Oxatetracyclo[10.2.1.0~1,10~.0~2,7~]Pentadec-8-Ene-12-Carboxylate

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Properties Simple | Detailed

Formula C21H26O8
IUPAC Name methyl (2r,7s,10s,12r)-5-{[(methoxycarbonyl)oxy]carbonyl}-4,10-dimethyl-13-oxo-14-oxatetracyclo[10.2.1.0 1,10 .0 2,7 ]pentadec-8-ene-12-carboxylate
Molecular Mass 406.426 g·mol−1
Heat of Formation -1376.1 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 469.86 Å 3
Surface Area 389.78 Å 2
HOMO Energy -10.34 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
InChIKey QKWJDIKZBYYDSI-QWDHSFPGSA-N
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Elements H C O