3'-Deoxycapsanthin

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Formula C40H56O2
IUPAC Name (2e,4e,6e,8e,10e,12e,14e,16e,18e)-19-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-4,8,13,17-tetramethyl-1-[(1r)-1,2,2-trimethylcyclopentyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
Molecular Mass 568.871 g·mol−1
Heat of Formation -214.7 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 810.56 Å 3
Surface Area 676.24 Å 2
HOMO Energy -8.01 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5'r)-3-hydroxy-beta,kappa-caroten-6'-one
  • 19-(4-hydroxy-2,6,6-trimethyl-cyclohex-1-enyl)-4,8,13,17-tetramethyl-1-(1,2,2-trimethyl-cyclopentyl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
  • beta,kappa-caroten-6'-one, 3-hydroxy-, (3r,5'r)-
InChIKey ZPLDHICCJOHBSS-WCODUNAQSA-N
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