Alloxanthin

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Properties Simple | Detailed

Formula C40H52O2
IUPAC Name (1r)-4-[(3e,5e,7e,9e,11e,13e,15e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol
Molecular Mass 564.840 g·mol−1
Heat of Formation 115.7 ± 16.7 kJ·mol−1
Dipole Moment 1.77 ± 1.08 D
Volume 796.85 Å 3
Surface Area 686.8 Å 2
HOMO Energy -7.90 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-4-[(3e,5e,7e,9e,11e,13e,15e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol
  • (1r)-4-[(3e,5e,7e,9e,11e,13e,15e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-3,5,5-trimethyl-1-cyclohex-3-enol
  • (1r)-4-[(3e,5e,7e,9e,11e,13e,15e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-3,5,5-trimethylcyclohex-3-en-1-ol
  • 7,7',8,8'-tetrahydro-beta,beta-carotene-3,3'-diolbeta,beta-carotene-3,3'-diol, 7,7',8,8'-tetradehydro-, (3r,3'r)-
  • alloxanthin/ tetradehydrozeaxanthin / (cynthiaxanthin)/ (pectenoxanthin)
  • beta,beta-carotene-3,3'-diol, 7,7',8,8'-tetradehydro-, (3r,3'r)-
  • lmpr01070053
CAS Number(s)
  • 28380-31-6
InChIKey DVICWXUADSCSLL-DDEWRDOISA-N
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