Astaxanthin

Molecule SVG Image

Properties Simple | Detailed

Formula C29H20O4
IUPAC Name 4-ethynyl-2-methylene-3-[(2-methylenecyclopropylidene)methylene]-5-(oxomethylene)cyclopentanone; 3,4,6-trimethylene-5-[2-(2-methylenecyclopropyl)ethynyl]cyclohexane-1,2-dione
Molecular Mass 432.467 g·mol−1
Heat of Formation -444.3 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 817.04 Å 3
Surface Area 688.26 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • (6s)-6-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4s)-4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-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
  • (6s)-6-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4s)-4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-1-cyclohex-2-enone
  • (6s)-6-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4s)-4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
  • (6s)-6-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4s)-4-hydroxy-3-keto-2,6,6-trimethyl-1-cyclohexenyl]-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
  • 3,3'-dihydroxy-beta,beta-carotene-4,4'-dione
  • axt
  • lmpr01070263
CAS Number(s)
  • 472-61-7
InChIKey MQZIGYBFDRPAKN-UWFIBFSHSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O