7,8,7',8'-Tetradehydroastaxanthin

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Properties Simple | Detailed

Formula C40H48O4
IUPAC Name (6s)-6-hydroxy-3-[(3e,5e,7e,9e,11e,13e,15e)-18-[(4s)-4-hydroxy-2,6,6-trimethyl-3-oxo-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
Molecular Mass 592.807 g·mol−1
Heat of Formation -102.9 ± 16.7 kJ·mol−1
Dipole Moment 1.05 ± 1.08 D
Volume 802.07 Å 3
Surface Area 691.19 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 1.72 ± eV
Point Group Symmetry C1
Synonyms
  • lmpr01070052
InChIKey NNUVZGQKBVLNIO-JKISVVIKSA-N
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Elements H C O