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ScientificNameLabel
piperitone epoxide
PHCD compound ID : 2929
Chemical Names :
piperitone epoxide
Molecular Formula : C10H16O2
Molecular Weight : 168.11503
More Details :
Names & Synonyms: (1R,3R,6R)-3-isopropyl-6-methyl-7-oxabicyclo[4.1.0]heptan-2-one , (1R,3R,6R)-6-methyl-3-propan-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
Smiles: CC([C@H]1CC[C@@]2([C@H](C1=O)O2)C)C
InChi : InChI=1S/C10H16O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h6-7,9H,4-5H2,1-3H3/t7-,9+,10-/m1/s1
InChi Key : InChIKey=IAFONZHDZMCORS-FKTZTGRPSA-N
PubChem ID : 12492569
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.870464
Hydrogen bond donor count : 0 Electric dipole moment : 3.896
XLogP : 1.72 VDW volume : 171.747382
Molecular weight : 168.11503 HOMO-LUMO gap : 10.342000
Herb list :
Refrences & Litretures:
  
371.      Journal:'Pharmaceutical Crops'      Year:'2011'      Volume:'2'      Page:'28'      DOI:''      Title:'Chemical composition and product quality control of turmeric (Curcuma longa L.)'
503.      Journal:'Journal of Essential Oil Research'      Year:'2006'      Volume:'3'      Page:'242'      DOI:'10.1080/10412905.2006.9699076'      Title:'Essential Oil Composition of two Greek Echinops species: E. graecus Miller and E. ritro L'
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