(3R,4S,5R,6S,10R,11R,12R)-11-Acetoxy-1-(Benzyloxy)-14-[Formyl(Methyl)Amino]-5-Hydroxy-4,6,10,12-Tetramethyl-9-Oxo-3-Tetradecanyl Propionate

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Properties Simple | Detailed

Formula C32H51NO8
IUPAC Name [(1r,2s,3r,4s,8r,9r,10r)-9-acetoxy-1-(2-benzyloxyethyl)-12-[formyl(methyl)amino]-3-hydroxy-2,4,8,10-tetramethyl-7-oxo-dodecyl] propanoate
Molecular Mass 577.749 g·mol−1
Heat of Formation -1671.4 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 761.13 Å 3
Surface Area 623.93 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 0.36 ± eV
Point Group Symmetry C1
InChIKey XTSMHDZMNHFSNK-YEERNSKASA-N
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