Capsanthin

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Properties Simple | Detailed

Formula C40H56O3
IUPAC Name (2e,4e,6e)-12-[2-[(e)-5-[(4r)-4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]-3-methylene-pent-4-en-1-ynyl]cyclopropen-1-yl]-1-[(1r,4s)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4-methyl-8-methylene-dodeca-2,4,6-trien-9,11-diyn-1-one
Molecular Mass 584.871 g·mol−1
Heat of Formation -396.9 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 817.86 Å 3
Surface Area 689.73 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e,10e,12e,14e,16e,18e)-19-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-1-[(1r,4s)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
  • (2e,4e,6e,8e,10e,12e,14e,16e,18e)-19-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-1-[(1r,4s)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
  • (3r,3's,5'r)-3,3'-dihydroxy-beta,kappa-caroten-6'-one
  • 3,3'-dihydroxy-beta,kappa-caroten-6'one
  • beta,kappa-caroten-6'one, 3,3'dihydroxy-
  • capsanthin/capsorubin
  • lmpr01070265
  • paprika extract
  • sdccgmls-0066894.p001
CAS Number(s)
  • 465-42-9
InChIKey VYIRVAXUEZSDNC-RDJLEWNRSA-N
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