Echinenone

Molecule SVG Image

Properties Simple | Detailed

Formula C40H54O
IUPAC Name 3-ethynyl-5-methylene-4-[(2-prop-1-ynylcyclopropylidene)methylene]cyclohexene; 4-ethynyl-6-methylene-5-[(2-prop-1-ynylcyclopropylidene)methylene]cyclohex-2-en-1-one
Molecular Mass 550.856 g·mol−1
Heat of Formation 13.9 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 787.16 Å 3
Surface Area 666.77 Å 2
HOMO Energy -7.94 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.,.beta.-caroten-4-one
  • 2,4,4-trimethyl-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1-cyclohex-2-enone
  • 2,4,4-trimethyl-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
  • 2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1-cyclohex-2-enone
  • 2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
  • echinenone/ (myxoxanthin)
  • lmpr01070060
CAS Number(s)
  • 432-68-8
InChIKey QXNWZXMBUKUYMD-QQGJMDNJSA-N
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