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ScientificNameLabel
Caryophylleneb epoxide
PHCD compound ID : 3090
Chemical Names :
Caryophylleneb epoxide
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms:
Smiles: C=C1CC[C@H]2O[C@]2(CC[C@@H]2[C@@H]1CC2(C)C)C
InChi : InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15+/m1/s1
InChi Key : InChIKey=NVEQFIOZRFFVFW-BHPKHCPMSA-N
PubChem ID : 5315723
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.658957
Hydrogen bond donor count : 0 Electric dipole moment : 2.369
XLogP : 4.607 VDW volume : 237.08062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.795000
Herb list :
Refrences & Litretures:
  
402.      Journal:'Food Chemistry'      Year:'2007'      Volume:'102'      Page:'898'      DOI:'10.1016/j.foodchem.2006.06.035'      Title:'Chemical and biological characteristics of Cuminum cyminum and Rosmarinus officinalis essential oils'
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