(7Cis,9Cis,13Cis)-O~15~-(Bromoacetyl)Retinol

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Properties Simple | Detailed

Formula C22H31BrO2
IUPAC Name [(2z,4e,6z,8z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] 2-bromoacetate
Molecular Mass 407.384 g·mol−1
Heat of Formation -325.1 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 485.66 Å 3
Surface Area 383.45 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • 2-bromoacetic acid [(2z,4e,6z,8z)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] ester
  • [(2z,4e,6z,8z)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] 2-bromoacetate
  • [(2z,4e,6z,8z)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] 2-bromoethanoate
  • retinol, bromoacetate
  • retinyl bromoacetate
CAS Number(s)
  • 81112-43-8
InChIKey OZTFYHFIAWNXSH-VWYWDUBQSA-N
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Elements H C O Br