4-{(1E)-1-[(2R,3R)-2-(4-Acetoxyphenyl)-3-Methyl-2-Oxiranyl]-1-Propen-1-Yl}Phenyl Acetate

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Formula C22H22O5
IUPAC Name [4-[(e)-1-[(2r,3r)-2-(4-acetoxyphenyl)-3-methyl-oxiran-2-yl]prop-1-enyl]phenyl] acetate
Molecular Mass 366.407 g·mol−1
Heat of Formation -608.8 ± 16.7 kJ·mol−1
Dipole Moment 0.38 ± 1.08 D
Volume 444.54 Å 3
Surface Area 381.94 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 3.09 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3-ebaph
  • 2,3-epoxy-3,4-bis(4'-acetoxyphenyl)-4-hexene
  • [4-[(e)-1-[(2r,3r)-2-(4-acetoxyphenyl)-3-methyl-oxiran-2-yl]prop-1-enyl]phenyl] acetate
  • [4-[(e)-1-[(2r,3r)-2-(4-acetyloxyphenyl)-3-methyl-oxiran-2-yl]prop-1-enyl]phenyl] ethanoate
  • [4-[(e)-1-[(2r,3r)-2-(4-acetyloxyphenyl)-3-methyloxiran-2-yl]prop-1-enyl]phenyl] acetate
  • acetic acid [4-[(e)-1-[(2r,3r)-2-(4-acetoxyphenyl)-3-methyl-2-oxiranyl]prop-1-enyl]phenyl] ester
  • acetic acid [4-[(e)-1-[(2r,3r)-2-(4-acetoxyphenyl)-3-methyl-oxiran-2-yl]prop-1-enyl]phenyl] ester
  • phenol, 4-(1-(2-(4-(acetyloxy)phenyl)-3-methyloxiranyl)-1-propenyl)-, acetate, (2alpha(e),3beta)-
CAS Number(s)
  • 82699-01-2
InChIKey OQIQSSQYAPSADP-RVNNCZOASA-N
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