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ScientificNameLabel
2-epi-Alpha-funebrene
PHCD compound ID : 457
Chemical Names :
2-epi-Alpha-funebrene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms:
Smiles: CC1=CC[C@]23C[C@H]1C(C)(C)[C@@H]2CC[C@@H]3C
InChi : InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13-,15+/m0/s1
InChi Key : InChIKey=IRAQOCYXUMOFCW-SFDCQRBFSA-N
PubChem ID : 91753249
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.940013
Hydrogen bond donor count : 0 Electric dipole moment : 0.200
XLogP : 6.597 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.423000
Herb list :
Refrences & Litretures:
  
29.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'250'      DOI:''      Title:'Aromas from Quebec. I. Composition of the essential oil of the rhizomes of Acorus calamus L'
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