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Phyllocladene isomer
PHCD compound ID : 5446
Chemical Names :
Phyllocladene isomer
Molecular Formula : C20H32
Molecular Weight : 272.250401
More Details :
Names & Synonyms: (1R,4R,9R,10R,13S)-5,5,9-trimethyl-14-methylene-tetracyclo[11.2.1.01,10.04,9]hexadecane , (1R,4R,9R,10R,13S)-5,5,9-trimethyl-14-methylenetetracyclo[11.2.1.01,10.04,9]hexadecane , (1R,4R,9R,10R,13S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane , (1R,4R,9R,10R,13S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane , (1R,4R,9R,10R,13S)-5,5,9-trimethyl-14-methylidene-tetracyclo[11.2.1.01,10.04,9]hexadecane
Smiles: C=C1C[C@]23C[C@@H]1CC[C@H]3[C@]1([C@H](CC2)C(C)(C)CCC1)C
InChi : InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3/t15-,16+,17-,19+,20-/m0/s1
InChi Key : InChIKey=ONVABDHFQKWOSV-NDLGOLERSA-N
PubChem ID : 44559813
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.561070
Hydrogen bond donor count : 0 Electric dipole moment : 1.140
XLogP : 9.123 VDW volume : 302.413858
Molecular weight : 272.250401 HOMO-LUMO gap : 10.989000
Herb list :
Refrences & Litretures:
  
905.      Journal:'Natural Product Communications'      Year:'2008'      Volume:'3'      Page:'1121'      DOI:'10.1177/1934578X0800300716'      Title:'Essential Oil Composition of Eryngium campestre L. Growing in Different Soil Types. A Preliminary Study'
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