β-Cryptoxanthin

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Properties Simple | Detailed

Formula C40H56O
IUPAC Name (1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
Molecular Mass 552.872 g·mol−1
Heat of Formation -26.8 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 795.68 Å 3
Surface Area 675.42 Å 2
HOMO Energy -7.89 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r)-2,6,6-trimethyl-1-cyclohex-2-enyl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1-cyclohex-3-enol
  • (1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r)-2,6,6-trimethyl-1-cyclohex-2-enyl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
  • (1r)-3,5,5-trimethyl-4-[3,7,12,16-tetramethyl-18-[(1r)-2,6,6-trimethyl-1-cyclohex-2-enyl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1-cyclohex-3-enol
  • (1r)-3,5,5-trimethyl-4-[3,7,12,16-tetramethyl-18-[(1r)-2,6,6-trimethyl-1-cyclohex-2-enyl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
  • (3r,6'r)-beta,epsilon-caroten-3-ol
  • 3-hydroxy-alpha-carotene
  • alpha-cryptoxanthin
  • lmpr01070268
  • zeinoxanthin
CAS Number(s)
  • 24480-38-4
InChIKey NBZANZVJRKXVBH-NHWXEJKLSA-N
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