(1Ar,4E,7As,10As,10Br)-1A,5-Dimethyl-8-Methylene-2,3,6,7,7A,8,10A,10B-Octahydrooxireno[9,10]Cyclodeca[1,2-B]Furan-9(1Ah)-One

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Properties Simple | Detailed

Formula C15H20O3
IUPAC Name (1s,2r,4r,7e,11s)-4,8-dimethyl-12-methylene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
Molecular Mass 248.318 g·mol−1
Heat of Formation -368.2 ± 16.7 kJ·mol−1
Dipole Moment 7.22 ± 1.08 D
Volume 313.75 Å 3
Surface Area 260.32 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • bcbcmap01_000041
  • bpbio1_000659
  • parthenolide, <i>tanacetum parthenium
InChIKey KTEXNACQROZXEV-PVLRGYAZSA-N
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Elements H C O