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

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Properties Simple | Detailed

Formula C32H24O2
IUPAC Name [2-ethynyl-4-methyl-3-[2-(2-prop-1-ynylcyclopropen-1-yl)ethynyl]cyclopent-3-en-1-ylidene]methanone; 5-[2-(2-methylcyclopropen-1-yl)ethynyl]-3,4-dimethylene-bicyclo[4.1.0]hept-5-en-2-one
Molecular Mass 440.532 g·mol−1
Heat of Formation -206.5 ± 16.7 kJ·mol−1
Dipole Moment 1.53 ± 1.08 D
Volume 814.07 Å 3
Surface Area 681.88 Å 2
HOMO Energy -7.98 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4r)-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4s)-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,4r)-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4s)-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,4r)-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4s)-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
  • (3r,3'r)-beta,beta-carotene-3,3'-diol, lutein
  • (3r,3'r,6s)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol
  • alpha-carotene-3,3'-diol
  • beta, epsilon-carotene
  • beta, epsilon-carotene-3,3′-diol
  • lut
InChIKey KBPHJBAIARWVSC-NSIPBSJQSA-N
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