Halcinonide

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Formula C24H32ClFO5
IUPAC Name (1s,2s,4r,8s,9s,11s,12r,13s)-8-(2-chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
Molecular Mass 454.959 g·mol−1
Heat of Formation -1245.1 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 519.92 Å 3
Surface Area 381.85 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • bpbio1_000759
  • d01308
  • halcinonide (jan/usp)
CAS Number(s)
  • 3093-35-4
InChIKey MUQNGPZZQDCDFT-JNQJZLCISA-N
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Elements H C F O Cl