α-Doradexanthin

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Properties Simple | Detailed

Formula C40H54O3
IUPAC Name (6s)-6-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1r,4s)-4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
Molecular Mass 582.855 g·mol−1
Heat of Formation -322.2 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 808.42 Å 3
Surface Area 686.58 Å 2
HOMO Energy -8.03 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (6s)-6-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1r,4s)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
  • (6s)-6-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1r,4s)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-1-cyclohex-2-enone
  • (6s)-6-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1r,4s)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
  • alpha-doradexanthin/ (3s,3's,6'r)-4-ketolutein
  • beta,epsilon-caroten-4-one, 3,3'-dihydroxy-, (3s,3's,6'r)-
  • lmpr01070028
CAS Number(s)
  • 29125-77-7
InChIKey JKMGDISLOMKFOX-CHRGBVLDSA-N
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