4,5A-Epoxy-6B-Hydroxy-Germacra-1(10),11(13)-Dien-12-Oic Acid G-Lactone

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Properties Simple | Detailed

Formula C15H20O3
IUPAC Name (1s,2s,4r,7z,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 -380.0 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 313.73 Å 3
Surface Area 265.66 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • 4,5-alpha-epoxy-6-beta-hydroxygermacra-1(10),11(13)-dien-12-oic acid gamma-lactone
  • germacra-1(10),11(13)-dien-12-oic acid, 4,5-alpha-epoxy-6-beta-hydroxy-, gamma-lactone
  • lmpr01030018
  • 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)-
  • parthenolide
CAS Number(s)
  • 20554-84-1
  • 119325-19-8
  • 120852-67-7
  • 344906-67-8
InChIKey KTEXNACQROZXEV-QLIGOWBFSA-N
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