(1R)-4-{(3E,5E,7E,9E,11Z)-11-[4-{(E)-2-[(1S,4S,6R)-4-Hydroxy-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Hept-1-Yl]Vinyl}-5-Oxo-2(5H)-Furanylidene]-3,10-Dimethyl-3,5,7,9-Undecatetraen-1-Yn-1-Yl}-3,5,5-Trimethyl-3-Cyclohexen-1-Yl Acetate

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Properties Simple | Detailed

Formula C39H48O6
IUPAC Name [(1r)-4-[10-[(z)-[4-[(e)-2-[(1r,3s,6s)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]vinyl]-5-oxo-2-furylidene]methyl]-3-methylene-undec-10-en-1,4,6,8-tetraynyl]-3,5,5-trimethyl-cyclohex-3-en-1-yl] acetate
Molecular Mass 612.795 g·mol−1
Heat of Formation -597.2 ± 16.7 kJ·mol−1
Dipole Moment 2.15 ± 1.08 D
Volume 797.57 Å 3
Surface Area 676.38 Å 2
HOMO Energy -8.01 ± 0.55 eV
LUMO Energy -1.95 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r)-4-[(3e,5e,7e,9e,11z)-11-[4-[(e)-2-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]-5-oxo-furan-2-ylidene]-3,10-dimethyl-undeca-3,5,7,9-tetraen-1-ynyl]-3,5,5-trimethyl-1-cyclohex-3-enyl] ethanoate
  • [(1r)-4-[(3e,5e,7e,9e,11z)-11-[4-[(e)-2-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]-5-oxofuran-2-ylidene]-3,10-dimethylundeca-3,5,7,9-tetraen-1-ynyl]-3,5,5-trimethyl-1-cyclohex-3-enyl] acetate
  • [(1r)-4-[(3e,5e,7e,9e,11z)-11-[4-[(e)-2-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]vinyl]-5-oxo-2-furylidene]-3,10-dimethyl-undeca-3,5,7,9-tetraen-1-ynyl]-3,5,5-trimethyl-1-cyclohex-3-enyl] acetate
  • acetic acid [(1r)-4-[(3e,5e,7e,9e,11z)-11-[4-[(e)-2-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]vinyl]-5-keto-2-furylidene]-3,10-dimethyl-undeca-3,5,7,9-tetraen-1-ynyl]-3,5,5-trimethyl-1-cyclohex-3-enyl] ester
  • acetic acid [(1r)-4-[(3e,5e,7e,9e,11z)-11-[4-[(e)-2-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]vinyl]-5-oxo-2-furylidene]-3,10-dimethylundeca-3,5,7,9-tetraen-1-ynyl]-3,5,5-trimethyl-1-cyclohex-3-enyl] ester
  • lmpr01070008
  • pyrrhoxanthin
InChIKey YDSRGWPRPWTZCK-CHOIYNEVSA-N
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