Methyl (12Z,13Z,14Z,47R)-39-Ethyl-40-Formyl-30,31,32,45-Tetramethyl-48-Oxo-46-[3-Oxo-3-[(E,7R,11R)-3,7,11,15-Tetramethylhexadec-2-Enoxy]Propyl]-Blahe-47-Carboxylate

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Properties Simple | Detailed

Formula C54H70MgN4O6
IUPAC Name methyl (12z,13z,14z,47r)-39-ethyl-40-formyl-30,31,32,45-tetramethyl-48-oxo-46-[3-oxo-3-[(e,7r,11r)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-blahe-47-carboxylate
Molecular Mass 895.462 g·mol−1
Heat of Formation -667.0 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 1135.89 Å 3
Surface Area 941.94 Å 2
HOMO Energy -7.65 ± 0.55 eV
LUMO Energy -1.90 ± eV
Point Group Symmetry C1
InChIKey FBCRYORFRGRJBC-ACDPFEIMSA-L
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Elements H C Mg O N