(2R,3'E)-1',2-Dihydroxy-3',4'-Didehydro-1',2'-Dihydro-β,Psi-Caroten-4-One

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Properties Simple | Detailed

Formula C40H54O3
IUPAC Name (5r)-5-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e,21e)-24-hydroxy-3,7,12,16,20,24-hexamethyl-pentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
Molecular Mass 582.855 g·mol−1
Heat of Formation -283.7 ± 16.7 kJ·mol−1
Dipole Moment 5.78 ± 1.08 D
Volume 820.45 Å 3
Surface Area 711.61 Å 2
HOMO Energy -7.91 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (5r)-5-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e,21e)-24-hydroxy-3,7,12,16,20,24-hexamethyl-pentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
  • (5r)-5-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e,21e)-24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-2,4,4-trimethyl-1-cyclohex-2-enone
  • (5r)-5-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e,21e)-24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
  • deinoxanthin
  • lmpr01070182
InChIKey GJFBHWJTMDTLNX-UWCSZFODSA-N
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