(4S,6S)-4,6-Dimethyl-3,7-Dioxo-5-Nonanyl 6-(6-Ethyl-3,5-Dimethyl-4-Oxo-4H-Pyran-2-Yl)-3-Hydroxy-2,2,4-Trimethyl-5-Oxohexanoate

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Properties Simple | Detailed

Formula C29H45O8+
IUPAC Name [(2s)-2-methyl-1-[(1s)-1-methyl-2-oxo-butyl]-3-oxo-pentyl] (3r,4r)-6-(6-ethyl-3,5-dimethyl-4-oxo-pyran-2-yl)-3-hydroxy-2,2,4-trimethyl-5-oxo-hexanoate
Molecular Mass 521.663 g·mol−1
Heat of Formation -1692.9 ± 16.7 kJ·mol−1
Dipole Moment 6.84 ± 1.08 D
Volume 662.23 Å 3
Surface Area 463.25 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
InChIKey HBLBJTXSYDMQDU-LMSMGYPZSA-N
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