Parthenolide

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Properties Simple | Detailed

Formula C15H20O3
IUPAC Name (1s,2s,4r,7e,11s)-4,8-dimethyl-12-methylene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
Molecular Mass 248.317 g·mol−1
Heat of Formation -383.1 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 310.97 Å 3
Surface Area 262.67 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-parthenolide
  • acon1_001961
  • germacra-1(10),11(13)-dien-12-oic acid, 4,5.alpha.-epoxy-6.beta.-hydroxy-, gamma.-lactone
  • megxp0_000050
  • oxireno[9,10]cyclodeca[1,2-b]furan-9(1ah)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1ar,4e,7as,10as,10bs)-
InChIKey KTEXNACQROZXEV-SLXBATTESA-N
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