(3R,3'S)-3,3'-Dihydroxy-β,β-Carotene-4,4'-Dione

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Properties Simple | Detailed

Formula C40H52O4
IUPAC Name (6s)-6-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-3-oxo-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
Molecular Mass 596.838 g·mol−1
Heat of Formation -444.4 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 819.15 Å 3
Surface Area 688.01 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • lmpr01070020
  • meso-astaxanthin/ (3s,3'r)-astaxanthin
InChIKey MQZIGYBFDRPAKN-GNBIBNSWSA-N
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Elements H C O