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Isoaromadendrene epoxide
PHCD compound ID : 3067
Chemical Names :
Isoaromadendrene epoxide
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms:
Smiles: C[C@H]1CC[C@@H]2[C@H]1[C@@H]1[C@@H](C1(C)C)C[C@@H]1[C@@]2(C)O1
InChi : InChI=1S/C15H24O/c1-8-5-6-9-12(8)13-10(14(13,2)3)7-11-15(9,4)16-11/h8-13H,5-7H2,1-4H3/t8-,9+,10-,11+,12-,13-,15-/m0/s1
InChi Key : InChIKey=GLKQAHXBJLGAFT-CRMAGSECSA-N
PubChem ID : 534398
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.840085
Hydrogen bond donor count : 0 Electric dipole moment : 2.302
XLogP : 4.855 VDW volume : 227.36062
Molecular weight : 220.182715 HOMO-LUMO gap : 12.361000
Herb list :
Refrences & Litretures:
  
395.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2009'      Volume:'12'      Page:'111'      DOI:'10.1080/0972060X.2009.10643700'      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Hyssopus angustifolius M.B'
660.      Journal:'Journal of Chromatography A'      Year:'2007'      Volume:'1150'      Page:'50'      DOI:'10.1016/j.chroma.2006.08.080'      Title:'Analysis of Artemisia annua L. volatile oil by comprehensive two-dimensional gas chromatography time-of-?ight mass spectrometry'
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