(3R,3'S,5'R,6'S)-7,8-Didehydro-5',6'-Dihydro-5',6'-Epoxy-β,β-Carotene-3,3'-Diol

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Properties Simple | Detailed

Formula C40H54O3
IUPAC Name 4-ethynyl-3,5-dimethyl-6-methylene-cyclohexa-2,4-dien-1-one; [3-ethynyl-2-[[2-[2-(2-methylcyclopropen-1-yl)ethynyl]cyclopropylidene]methylene]-6-methylene-tetrahydropyran-4-ylidene]methanone
Molecular Mass 582.855 g·mol−1
Heat of Formation -142.9 ± 16.7 kJ·mol−1
Dipole Moment 1.91 ± 1.08 D
Volume 809.65 Å 3
Surface Area 688.86 Å 2
HOMO Energy -7.90 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4s,6r)-1-[(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]-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-4-ol
  • (1s,4s,6r)-1-[(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]-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-4-ol
  • beta,beta-carotene-3,3'-diol, 7',8'-didehydro-5,6-epoxy-5,6-dihydro-, (3s,3'r,5r,6s)-
  • diadinoxanthin
CAS Number(s)
  • 11003-58-0
  • 18457-54-0
  • 33082-16-5
InChIKey OGHZCSINIMWCSB-GHIQLMQGSA-N
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