(3R,3'R,6S)-4,5-Didehydro-5,6-Dihydro-β,β-Carotene-3,3'-Diol

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Properties Simple | Detailed

Formula C32H26O2
IUPAC Name 5-[2-(2-methylcyclopropen-1-yl)ethynyl]-3,4-dimethylene-bicyclo[4.1.0]hept-5-en-2-one; 2,3,5-trimethylene-4-[2-(2-prop-1-ynylcyclopropen-1-yl)ethynyl]cyclohexanone
Molecular Mass 442.548 g·mol−1
Heat of Formation -205.5 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 804.94 Å 3
Surface Area 681.03 Å 2
HOMO Energy -7.94 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4s)-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-2-en-1-ol
  • (1r,4s)-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-2-enol
  • (1r,4s)-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-ol
  • lmpr01070029
  • lutein f
InChIKey KBPHJBAIARWVSC-WTAPCXIZSA-N
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