Retinol, 3,4-Didehydro-, Acetate

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Formula C22H30O2
IUPAC Name [(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenyl] acetate
Molecular Mass 326.472 g·mol−1
Heat of Formation -255.2 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 455.68 Å 3
Surface Area 406.82 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4-didehydroretinyl acetate
  • [(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)nona-2,4,6,8-tetraenyl] acetate
  • [(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)nona-2,4,6,8-tetraenyl] ethanoate
  • acetic acid [(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)nona-2,4,6,8-tetraenyl] ester
CAS Number(s)
  • 20008-04-2
InChIKey FKPNTWPSTBQDNM-QHLGVNSISA-N
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