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ScientificNameLabel
cis-Z-alpha-Bisabolene epoxide
PHCD compound ID : 4492
Chemical Names :
cis-Z-alpha-Bisabolene epoxide
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (2R,3S)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane , (2R,3S)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methyl-1-cyclohex-3-enyl)oxirane
Smiles: CC(=CC[C@@H]1O[C@]1(C)[C@H]1CCC(=CC1)C)C
InChi : InChI=1S/C15H24O/c1-11(2)5-10-14-15(4,16-14)13-8-6-12(3)7-9-13/h5-6,13-14H,7-10H2,1-4H3/t13-,14+,15-/m1/s1
InChi Key : InChIKey=PBNXUEQZNAEDOI-QLFBSQMISA-N
PubChem ID : 91753574
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.215029
Hydrogen bond donor count : 0 Electric dipole moment : 0.984
XLogP : 3.862 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.554000
Herb list :
Refrences & Litretures:
  
660.      Journal:'Journal of Chromatography A'      Year:'2007'      Volume:'1150'      Page:'50'      DOI:'10.1016/j.chroma.2006.08.080'      Title:'Analysis of Artemisia annua L. volatile oil by comprehensive two-dimensional gas chromatography time-of-?ight mass spectrometry'
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