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ScientificNameLabel
alpha-Copaene-8-ol
PHCD compound ID : 4287
Chemical Names :
alpha-Copaene-8-ol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms:
Smiles: CC([C@H]1CC[C@]2([C@H]3[C@@H]1[C@@H]2[C@@H](C=C3C)O)C)C
InChi : InChI=1S/C15H24O/c1-8(2)10-5-6-15(4)13-9(3)7-11(16)14(15)12(10)13/h7-8,10-14,16H,5-6H2,1-4H3/t10-,11-,12-,13-,14+,15+/m1/s1
InChi Key : InChIKey=LTXWSWWXNHYXCW-MBIARJLFSA-N
PubChem ID : 25086830
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.449229
Hydrogen bond donor count : 1 Electric dipole moment : 2.887
XLogP : 4.469 VDW volume : 237.08062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.355000
Herb list :
Refrences & Litretures:
  
618.      Journal:'Chemistry of Natural Compounds'      Year:'2012'      Volume:'48'      Page:'506'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OIL OF Urtica dioica'
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