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ScientificNameLabel
Kaurene
PHCD compound ID : 5349
Chemical Names :
Kaurene
Molecular Formula : C20H32
Molecular Weight : 272.250401
More Details :
Names & Synonyms: 5,5,9-trimethyl-14-methylene-tetracyclo[11.2.1.01,10.04,9]hexadecane , 5,5,9-trimethyl-14-methylenetetracyclo[11.2.1.01,10.04,9]hexadecane , 5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane , 5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane , 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-/m1/s1
InChi Key : InChIKey=ONVABDHFQKWOSV-FPPGBKCQSA-N
PubChem ID : 520687
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.561516
Hydrogen bond donor count : 0 Electric dipole moment : 1.141
XLogP : 9.123 VDW volume : 302.413858
Molecular weight : 272.250401 HOMO-LUMO gap : 10.990000
Herb list :
Refrences & Litretures:
  
873.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2017'      Volume:'20'      Page:'1137'      DOI:'10.1080/0972060X.2017.1359681'      Title:'Essential Oil Composition of Tilia cordata Flowers'
874.      Journal:'CHEMIJA'      Year:'2007'      Volume:'18'      Page:'44'      DOI:''      Title:'Influence of urban environment on chemical composition of essential oil of Tilia cordata'
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