Skip Navigation Links
ScientificNameLabel
Alpha-cis-Bergamotene
PHCD compound ID : 173
Chemical Names :
Alpha-cis-Bergamotene , (Z)-alpha-trans-bergamotene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S,5S,6S)-4,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene
Smiles: CC(=CCC[C@@]1(C)[C@H]2CC=C([C@@H]1C2)C)C
InChi : InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15-/m0/s1
InChi Key : InChIKey=YMBFCQPIMVLNIU-KKUMJFAQSA-N
PubChem ID : 6429303
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.024795
Hydrogen bond donor count : 0 Electric dipole moment : 0.744
XLogP : 6.104 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.365000
Herb list :
Refrences & Litretures:
  
9.      Journal:'Food Chemistry'      Year:'2009'      Volume:'112'      Page:'1072'      DOI:'10.1016/j.foodchem.2008.07.015'      Title:'Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: Comparison of three different extraction methods'
12.      Journal:'Journal of Chromatography A'      Year:'2001'      Volume:'917'      Page:'245'      DOI:''      Title:'On-site ?eld sampling and analysis of fragrance from living Lavender (Lavandula angustifolia L.) ?owers by solid-phase microextraction coupled to gas chromatography and ion-trap mass spectrometry'
131.      Journal:'J. Sep. Sci'      Year:'2009'      Volume:'32'      Page:'99'      DOI:'10.1002/jssc.200800404'      Title:'Essential oil composition of Citrusmedica L. Cv. Diamante (Diamante citron) determined after using different extractionmethods'
137.      Journal:'Flavour Fragr. J'      Year:'2003'      Volume:'18'      Page:'237'      DOI:'10.1002/ffj.1215'      Title:'Compositional analysis of the essential oil of Lallemantia royleana (Benth. in Wall.) Benth. from Iran'
491.      Journal:'J. Nut. Prod'      Year:'1996'      Volume:'59'      Page:'49'      DOI:''      Title:'The Volatile Oil Composition of Fresh and Air-Dried Buds of Cannabis sativa'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us