3-Chloro-4,6-Dihydroxy-2-Methyl-5-{(2E,4E)-3-Methyl-5-[(1R,2R,6R)-1,2,6-Trimethyl-3-Oxocyclohexyl]-2,4-Pentadien-1-Yl}Benzaldehyde

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Properties Simple | Detailed

Formula C23H29ClO4
IUPAC Name 5-chloro-2,4-dihydroxy-6-methyl-3-[(2e,4e)-3-methyl-5-[(1r,2r,6r)-1,2,6-trimethyl-3-oxo-cyclohexyl]penta-2,4-dienyl]benzaldehyde
Molecular Mass 404.927 g·mol−1
Heat of Formation -703.8 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 495.98 Å 3
Surface Area 413.22 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-2,4-dihydroxy-3-[(2e,4e)-5-[(1r,2r,6r)-3-keto-1,2,6-trimethyl-cyclohexyl]-3-methyl-penta-2,4-dienyl]-6-methyl-benzaldehyde
  • 5-chloro-2,4-dihydroxy-6-methyl-3-[(2e,4e)-3-methyl-5-[(1r,2r,6r)-1,2,6-trimethyl-3-oxo-cyclohexyl]penta-2,4-dienyl]benzaldehyde
  • 5-chloro-2,4-dihydroxy-6-methyl-3-[(2e,4e)-3-methyl-5-[(1r,2r,6r)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde
  • acon0_000201
  • acon1_000947
  • megxm0_000288
InChIKey SETVRSKZJJWOPA-FLDGXQSCSA-N
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Elements H C O Cl