Nostoxanthin

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Properties Simple | Detailed

Formula C40H56O4
IUPAC Name (1r,2r)-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4r,5r)-4,5-dihydroxy-2,6,6-trimethyl-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,3,5-trimethyl-cyclohex-4-ene-1,2-diol
Molecular Mass 600.870 g·mol−1
Heat of Formation -552.7 ± 16.7 kJ·mol−1
Dipole Moment 0.83 ± 1.08 D
Volume 826.21 Å 3
Surface Area 685.71 Å 2
HOMO Energy -7.89 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r)-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4r,5r)-4,5-dihydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,3,5-trimethyl-cyclohex-4-ene-1,2-diol
  • lmpr01070104
InChIKey JVPASJUYZJKFHY-HWFHZMFDSA-N
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