Diatoxanthin

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Properties Simple | Detailed

Formula C40H54O2
IUPAC Name (1r)-4-[(1e,3e,5e,7e,9e,11e,13e,15e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol
Molecular Mass 566.856 g·mol−1
Heat of Formation -49.4 ± 16.7 kJ·mol−1
Dipole Moment 1.28 ± 1.08 D
Volume 805.45 Å 3
Surface Area 686.13 Å 2
HOMO Energy -7.91 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-4-[(1e,3e,5e,7e,9e,11e,13e,15e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol
  • (1r)-4-[(1e,3e,5e,7e,9e,11e,13e,15e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-3,5,5-trimethyl-1-cyclohex-3-enol
  • (1r)-4-[(1e,3e,5e,7e,9e,11e,13e,15e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol
  • 7,8-didehydro-beta,beta-carotene-3r,3'r-diol
  • all-trans-diatoxanthin
  • beta,beta-carotene-3,3'-diol, 7,8-didehydro-, (3r,3'r)-
  • diatoxanthin/ 7,8-didehydrozeaxanthin
  • lmpr01070054
CAS Number(s)
  • 31063-73-7
InChIKey HNYJHQMUSVNWPV-DRCJTWAYSA-N
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