(3S,5R,3'S,5'R)-3,3'-Dihydroxy-K,K-Carotene-6,6'-Dione

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Properties Simple | Detailed

Formula C40H56O4
IUPAC Name (2e,4e,6e,8e,10e,12e,14e,16e,18e)-1,20-bis[(1r,4s)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-icosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione
Molecular Mass 600.870 g·mol−1
Heat of Formation -576.0 ± 16.7 kJ·mol−1
Dipole Moment 1.39 ± 1.08 D
Volume 825.33 Å 3
Surface Area 684.82 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e,10e,12e,14e,16e,18e)-1,20-bis[(1r,4s)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-icosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione
  • (2e,4e,6e,8e,10e,12e,14e,16e,18e)-1,20-bis[(1r,4s)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione
  • (3s,3's,5r,5'r)-3,3'-dihydroxy-kappa,kappa-carotene-6,6'-dione
  • (3s,5r,3's,5'r)-3,3'-dihydroxy-kappa,kappa-carotene-6,6'-dione
  • capsorubin
  • lmpr01070048
CAS Number(s)
  • 470-38-2
InChIKey GVOIABOMXKDDGU-YUURSNASSA-N
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