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ScientificNameLabel
Beta-Bazzanene
PHCD compound ID : 1793
Chemical Names :
Beta-Bazzanene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (4S)-1,4-dimethyl-4-[(1R)-1-methyl-2-methylene-cyclopentyl]cyclohexene , (4S)-1,4-dimethyl-4-[(1R)-1-methyl-2-methylenecyclopentyl]cyclohexene , (4S)-1,4-dimethyl-4-[(1R)-1-methyl-2-methylidenecyclopentyl]cyclohexene , (4S)-1,4-dimethyl-4-[(1R)-1-methyl-2-methylidene-cyclopentyl]cyclohexene
Smiles: CC1=CC[C@@](CC1)(C)[C@]1(C)CCCC1=C
InChi : InChI=1S/C15H24/c1-12-7-10-14(3,11-8-12)15(4)9-5-6-13(15)2/h7H,2,5-6,8-11H2,1,3-4H3/t14-,15-/m1/s1
InChi Key : InChIKey=YFLSTROSSKYYNK-HUUCEWRRSA-N
PubChem ID : 12444487
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.048311
Hydrogen bond donor count : 0 Electric dipole moment : 0.909
XLogP : 5.948 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.379000
Herb list :
Refrences & Litretures:
  
203.      Journal:'Food Chemistry'      Year:'2011'      Volume:'128'      Page:'1017'      DOI:'10.1016/j.foodchem.2011.04.007'      Title:'Chemical composition and antimicrobial activity of Vitex agnus-castus L. fruits and leaves essential oils'
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