{(1R,7Ar)-5-[(1R,4S)-4-Hydroxy-1-Methyl-2-Oxocyclohexyl]-7A-Methyl-1-[(2R)-6-Methyl-2-Heptanyl]Octahydro-1H-Inden-4-Yl}Acetaldehyde

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Properties Simple | Detailed

Formula C27H46O3
IUPAC Name 2-[(1r,3as,4s,5s,7ar)-1-[(1r)-1,5-dimethylhexyl]-5-[(1s,4r)-4-hydroxy-1-methyl-2-oxo-cyclohexyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetaldehyde
Molecular Mass 418.652 g·mol−1
Heat of Formation -863.5 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 568.85 Å 3
Surface Area 434.81 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 0.60 ± eV
Point Group Symmetry C1
InChIKey YAKOGNWFSAFQBB-ORMLOLTMSA-N
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