(3S,3'R,6R,6'R)-3,3',6-Trihydroxy-4',18-Didehydro-6,6',7,8-Tetrahydro-β,β-Caroten-8-One

Molecule SVG Image

Properties Simple | Detailed

Formula C40H56O4
IUPAC Name (3e,5e,7e,9e,11e,13e,15e,17e)-1-[(1r,4s)-1,4-dihydroxy-2,2-dimethyl-6-methylene-cyclohexyl]-18-[(1r,4r)-4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3,7,12,16-tetramethyl-octadeca-3,5,7,9,11,13,15,17-octaen-2-one
Molecular Mass 600.870 g·mol−1
Heat of Formation -592.1 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 834.65 Å 3
Surface Area 674.72 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy 1.90 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,5e,7e,9e,11e,13e,15e,17e)-1-[(1r,4s)-1,4-dihydroxy-2,2-dimethyl-6-methylene-cyclohexyl]-18-[(1r,4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-3,7,12,16-tetramethyl-octadeca-3,5,7,9,11,13,15,17-octaen-2-one
  • (3e,5e,7e,9e,11e,13e,15e,17e)-1-[(1r,4s)-1,4-dihydroxy-2,2-dimethyl-6-methylenecyclohexyl]-18-[(1r,4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one
  • (3e,5e,7e,9e,11e,13e,15e,17e)-1-[(1r,4s)-1,4-dihydroxy-2,2-dimethyl-6-methylidene-cyclohexyl]-18-[(1r,4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-3,7,12,16-tetramethyl-octadeca-3,5,7,9,11,13,15,17-octaen-2-one
  • (3e,5e,7e,9e,11e,13e,15e,17e)-1-[(1r,4s)-1,4-dihydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-18-[(1r,4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one
  • lmpr01070200
  • prasinoxanthin
InChIKey WOJYJHBMWRNRJG-DTJZQRCSSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O