(6E,8E,10E,12E,14R)-14-Hydroxy-4,5-Didehydro-5,14-Dihydroretinol

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Properties Simple | Detailed

Formula C20H30O2
IUPAC Name (2r,3e,5e,7e,9e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol
Molecular Mass 302.451 g·mol−1
Heat of Formation -322.1 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 420.61 Å 3
Surface Area 365.62 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (14r)-14-hydroxy-4,14-retro-retinol
  • (2r,3e,5e,7e,9e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohex-2-enylidene)nona-3,5,7-triene-1,2-diol
  • 14(r)-hydroxy-retro-vitamin a
  • 14-hrr
  • 4,14-retro-retinol, 14-hydroxy-, (14r)-
CAS Number(s)
  • 139257-77-5
InChIKey PCRZONNRANOQPA-ZVSDKSQSSA-N
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