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ScientificNameLabel
Isoitalicene
PHCD compound ID : 5431
Chemical Names :
Isoitalicene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,2R,5R,7R)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene , (1R,2R,5R,7R)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene
Smiles: CC1=C[C@H]2[C@]3(CC1)[C@H](C)CC[C@@H]3C2(C)C
InChi : InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(15)14(3,4)13(15)9-10/h9,11-13H,5-8H2,1-4H3/t11-,12-,13-,15-/m1/s1
InChi Key : InChIKey=BWAXOYJGXIEEOE-RGCMKSIDSA-N
PubChem ID : 10987385
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.972351
Hydrogen bond donor count : 0 Electric dipole moment : 0.360
XLogP : 6.597 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.454000
Herb list :
Refrences & Litretures:
  
899.      Journal:'Biochemical Systematics and Ecology'      Year:'2008'      Volume:'36'      Page:'360'      DOI:'10.1016/j.bse.2007.12.003'      Title:'Antimicrobial and insecticidal activities of essential oil isolated from Turkish Salvia hydrangea DC. ex Benth'
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