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ScientificNameLabel
Octahy-dro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene
PHCD compound ID : 3099
Chemical Names :
Octahy-dro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms:
Smiles: C=C1CC[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/h11-13H,1,5-9H2,2-4H3/t11-,12+,13+,15+/m0/s1
InChi Key : InChIKey=DYLPEFGBWGEFBB-KYEXWDHISA-N
PubChem ID : 12302596
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.508143
Hydrogen bond donor count : 0 Electric dipole moment : 0.982
XLogP : 6.642 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.848000
Herb list :
Refrences & Litretures:
  
407.      Journal:'Journal of Chromatography A'      Year:'2006'      Volume:'1102'      Page:'11'      DOI:'10.1016/j.chroma.2005.10.032'      Title:'Improved solvent-free microwave extraction of essential oil from dried Cuminum cyminum L. and Zanthoxylum bungeanum Maxim'
410.      Journal:'Food Chemistry'      Year:'2009'      Volume:'115'      Page:'1114'      DOI:'10.1016/j.foodchem.2008.12.091'      Title:'Extraction of Cuminum cyminum essential oil by combination technology of organic solvent with low boiling point and steam distillation'
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