Tcmdc-142261

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Properties Simple | Detailed

Formula C20H26O7
IUPAC Name tcmdc-142261
Molecular Mass 378.416 g·mol−1
Heat of Formation -1263.5 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 419.01 Å 3
Surface Area 317.65 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-chaparrinone
  • (1-beta,11-beta,12-alpha)-11,20-epoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione
  • chaparrinone
  • chaparrinone (7ci)
  • picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-, (1-beta,11-beta,12-alpha)-
  • picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-[(2r)-2-methyl-1-oxobutoxy]-,[1.beta.,11.beta.,12.alpha.]
CAS Number(s)
  • 22611-34-3
InChIKey VLYMLZRDCSQUQF-RZUZYEBMSA-N
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