Fucoxanthin

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Properties Simple | Detailed

Formula C42H58O6
IUPAC Name (3r)-7-hydroperoxy-4,5,6-trimethylene-1-oxaspiro[2.5]octane; 6-methylene-9-(oxomethylene)-10-(2-prop-1-ynylcyclopropen-1-yl)-1-oxacyclodeca-3,7-diyn-5-one
Molecular Mass 658.906 g·mol−1
Heat of Formation -860.9 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 884.21 Å 3
Surface Area 727.9 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (3's,5'r,6'r)-3'-acetoxy-5,6-epoxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-8-one
  • (3s,3's,5r,5'r,6s,6'r)-3'-(acetyloxy)-6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,5'-dihydroxy-8-oxo-beta,beta-carotene
  • (3s,5r,6s,3's,5'r,6'r)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,6-epoxy-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-3'-yl acetate
  • [(1s,3r)-3-hydroxy-4-[(3e,5e,7e,9e,11e,13e,15e)-18-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxo-octadeca-1,3,5,7,9,11,13,15-octaenylidene]-3,5,5-trimethyl-cyclohexyl] acetate
  • [(1s,3r)-3-hydroxy-4-[(3e,5e,7e,9e,11e,13e,15e)-18-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxo-octadeca-1,3,5,7,9,11,13,15-octaenylidene]-3,5,5-trimethyl-cyclohexyl] ethanoate
  • [(1s,3r)-3-hydroxy-4-[(3e,5e,7e,9e,11e,13e,15e)-18-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaenylidene]-3,5,5-trimethylcyclohexyl] acetate
  • acetic acid [(1s,3r)-3-hydroxy-4-[(3e,5e,7e,9e,11e,13e,15e)-18-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-17-keto-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15-octaenylidene]-3,5,5-trimethyl-cyclohexyl] ester
  • acetic acid [(1s,3r)-3-hydroxy-4-[(3e,5e,7e,9e,11e,13e,15e)-18-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaenylidene]-3,5,5-trimethylcyclohexyl] ester
  • beta,beta-carotene, 3'-(acetyloxy)-6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,5'-dihydroxy-8-oxo-, (3s,3's,5r,5'r,6s,6'r)-
  • lmpr01070272
CAS Number(s)
  • 3351-86-8
InChIKey SJWWTRQNNRNTPU-ABBNZJFMSA-N
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