(3E,13Cis)-1-Methoxy-3,4-Didehydro-1,2,7',8'-Tetrahydro-Psi,Psi-Carotene

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Properties Simple | Detailed

Formula C41H60O
IUPAC Name (6e,10e,12e,14e,16e,18z,20e,22e,24e,26e,28e)-31-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene
Molecular Mass 568.914 g·mol−1
Heat of Formation 9.3 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 840.2 Å 3
Surface Area 746.81 Å 2
HOMO Energy -7.94 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
Synonyms
  • (6e,10e,12e,14e,16e,18z,20e,22e,24e,26e,28e)-31-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene
  • (6e,10e,12e,14e,16e,18z,20e,22e,24e,26e,28e)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene
  • spheroidene
InChIKey FJOCMTHZSURUFA-KXCOHNEYSA-N
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