Laurencin

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Formula C17H23BrO3
IUPAC Name [(e,1r)-1-[(2r,3s,5z,8r)-3-bromo-2-ethyl-3,4,7,8-tetrahydro-2h-oxocin-8-yl]hex-3-en-5-ynyl] acetate
Molecular Mass 355.267 g·mol−1
Heat of Formation -330.1 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 388.31 Å 3
Surface Area 333.88 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-oxocin-2-methanol, 7-bromo-8-ethyl-3,6,7,8-tetrahydro-alpha-2-penten-4-ynyl-, acetate, (2r-(2alpha(r*(e)),7beta,8alpha))- (9ci)
  • 2h-oxocin-2-methanol, 7-bromo-8-ethyl-3,6,7,8-tetrahydro-alpha-2-penten-4-ynyl-, acetate, (e)-(alphar,2r,7s,8r)- (8ci)
  • 7-bromo-8-ethyl-3,6,7,8-tetrahydro-alpha-2-penten-4-ynyl-2h-oxocin-2-methanol acetate
  • [(e,1r)-1-[(2r,4z,7s,8r)-7-bromo-8-ethyl-3,6,7,8-tetrahydro-2h-oxocin-2-yl]hex-3-en-5-ynyl] acetate
  • [(e,1r)-1-[(2r,4z,7s,8r)-7-bromo-8-ethyl-3,6,7,8-tetrahydro-2h-oxocin-2-yl]hex-3-en-5-ynyl] ethanoate
  • acetic acid [(e,1r)-1-[(2r,4z,7s,8r)-7-bromo-8-ethyl-3,6,7,8-tetrahydro-2h-oxocin-2-yl]hex-3-en-5-ynyl] ester
CAS Number(s)
  • 3442-58-8
InChIKey ZFYWONYUPVGTQJ-GDHVPRBFSA-N
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Elements H C O Br