Crocetin

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Properties Simple | Detailed

Formula C20H24O4
IUPAC Name (2e,4e,6e,8e,10e,12e,14e)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
Molecular Mass 328.402 g·mol−1
Heat of Formation -509.8 ± 16.7 kJ·mol−1
Dipole Moment 1.05 ± 1.08 D
Volume 430.23 Å 3
Surface Area 410.59 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e,10e,12e,14e)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
  • 2,4,6,8,10,12,14-hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (all-e)- (8ci)
  • 2,4,6,8,10,12,14-hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-,(all-e)-
  • 2,4,6,8,10,12,14-hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-;.alpha.-crocetin
  • 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
  • 8,8'-diapo-psi,psi-carotenedioic acid
  • 8,8'-diapocarotenedioic acid
  • ci 75100
  • lmpr01070223
  • natural yellow 6
CAS Number(s)
  • 27876-94-4
InChIKey PANKHBYNKQNAHN-MQQNZMFNSA-N
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