(1R,2S,3S)-1-Hydroxy-3-Methoxy-2-[(2R,3R)-2-Methyl-3-(3-Methyl-2-Buten-1-Yl)-2-Oxiranyl]-4-Oxocyclohexanecarbaldehyde

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Properties Simple | Detailed

Formula C16H24O5
IUPAC Name (1r,2s,3s)-1-hydroxy-3-methoxy-2-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxo-cyclohexanecarbaldehyde
Molecular Mass 296.359 g·mol−1
Heat of Formation -775.5 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 370.44 Å 3
Surface Area 298.03 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 2.98 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,3s)-1-hydroxy-3-methoxy-2-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-4-oxo-1-cyclohexanecarboxaldehyde
  • (1r,2s,3s)-1-hydroxy-3-methoxy-2-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxo-cyclohexane-1-carbaldehyde
  • (1r,2s,3s)-1-hydroxy-3-methoxy-2-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxocyclohexane-1-carbaldehyde
  • (1r,2s,3s)-1-hydroxy-4-keto-3-methoxy-2-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexane-1-carbaldehyde
InChIKey UKNNCBXEELDDCU-SUJAAXHWSA-N
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