Mytiloxanthin

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Properties Simple | Detailed

Formula C40H54O4
IUPAC Name 2-(3-but-2-ynyl-2h-oxet-4-yl)ethynol; 3,4-dimethylene-5-prop-1-ynyl-bicyclo[4.1.0]hept-5-en-2-one; (2-ethynyl-3-methylene-cyclobutylidene)methanone
Molecular Mass 598.854 g·mol−1
Heat of Formation -409.4 ± 16.7 kJ·mol−1
Dipole Moment 6.88 ± 1.08 D
Volume 820.73 Å 3
Surface Area 693.02 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (2z,4e,6e,8e,10e,12e,14e,16e)-3-hydroxy-19-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-1-[(1r,4s)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16-octaen-18-yn-1-one
  • (2z,4e,6e,8e,10e,12e,14e,16e)-3-hydroxy-19-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-1-[(1r,4s)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16-octaen-18-yn-1-one
  • lmpr01070010
InChIKey WSLGBPCJDUQFND-BBPSKTQQSA-N
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