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ScientificNameLabel
Epoxy-beta-ionone
PHCD compound ID : 875
Chemical Names :
trans-Beta-ionone-5,6-epoxide , Beta-ionone-5,6-epoxide , Epoxy-beta-ionone
Molecular Formula : C13H20O2
Molecular Weight : 208.14633
More Details :
Names & Synonyms: (E)-4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one , (E)-4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)-3-buten-2-one
Smiles: CC(=O)/C=C/[C@@]12O[C@@]2(C)CCCC1(C)C
InChi : InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3/b9-6+/t12-,13+/m0/s1
InChi Key : InChIKey=ZTJZJYUGOJYHCU-YSDIBMRGSA-N
PubChem ID : 5352481
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.043106
Hydrogen bond donor count : 0 Electric dipole moment : 2.150
XLogP : 2.217 VDW volume : 220.998877
Molecular weight : 208.14633 HOMO-LUMO gap : 9.941000
Herb list :
Refrences & Litretures:
  
71.      Journal:'Food Chemistry'      Year:'2005'      Volume:'91'      Page:'131'      DOI:'10.1016/j.foodchem.2004.05.056'      Title:'Identi?cation of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties'
257.      Journal:'J. Agric. Food Chem'      Year:'2012'      Volume:'60'      Page:'9097'      DOI:'10.1021/jf301800x'      Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
497.      Journal:'World Appl. Sci. J'      Year:'2014'      Volume:'29'      Page:'171'      DOI:'10.5829/idosi.wasj.2014.29.02.1240'      Title:'Chemical Composition of the Essential Oil from Melilotus officinalis (L.) Pall'
505.      Journal:'Microchemical Journal'      Year:'2009'      Volume:'93'      Page:'140'      DOI:'10.1016/j.microc.2009.05.011'      Title:'Evolution of Brassica rapa var. rapa L. volatile composition by HS-SPME and GC/IT-MS'
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