Neoxanthin

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Properties Simple | Detailed

Formula C30H24O4
IUPAC Name 2-ethynyl-3-[[2-[2-(2-methylcyclopropen-1-yl)ethynyl]cyclopropylidene]methylene]-5-methylene-4-oxabicyclo[4.1.0]hept-1(6)-en-7-one; 8-ethynylspiro[2.5]oct-6-en-5-one; formaldehyde
Molecular Mass 448.509 g·mol−1
Heat of Formation -445.9 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 825.64 Å 3
Surface Area 686.08 Å 2
HOMO Energy -7.92 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s)-6-[(3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-1,5,5-trimethyl-cyclohexane-1,3-diol
  • (1r,3s)-6-[(3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol
  • (3s,5r,6r,3's,5'r,6's)-6,7-didehydro-5',6'-epoxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,5,3'-triol
  • all-trans-neoxanthin
  • lmpr01070278
CAS Number(s)
  • 14660-91-4
InChIKey PGYAYSRVSAJXTE-CLONMANBSA-N
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