7,8-Didehydroastaxanthin

Molecule SVG Image

Properties Simple | Detailed

Formula C40H50O4
IUPAC Name (6s)-6-hydroxy-3-[(1e,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-1,3,5,7,9,11,13,15-octaen-17-ynyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
Molecular Mass 594.823 g·mol−1
Heat of Formation -272.4 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 813.39 Å 3
Surface Area 689.4 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,3's)-7,8-didehydroastaxanthin
  • (6s)-6-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e)-18-[(4s)-4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
  • (6s)-6-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e)-18-[(4s)-4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-2,4,4-trimethyl-1-cyclohex-2-enone
  • (6s)-6-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e)-18-[(4s)-4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-2,4,4-trimethylcyclohex-2-en-1-one
  • (6s)-6-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e)-18-[(4s)-4-hydroxy-3-keto-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
  • lmpr01070051
CAS Number(s)
  • 19866-02-5
InChIKey BZQRJBLJDFPOBX-AKKQMVQHSA-N
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