Skip Navigation Links
ScientificNameLabel
Beta-Guaiene
PHCD compound ID : 300
Chemical Names :
cis-b-Guaiene , Beta-Guaiene , Beta-guaienec
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S,4S)-7-isopropylidene-1,4-dimethyl-2,3,4,5,6,8-hexahydro-1H-azulene , (1S,4S)-1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene
Smiles: CC(=C1CC[C@@H](C2=C(C1)[C@@H](C)CC2)C)C
InChi : InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3/t11-,12-/m0/s1
InChi Key : InChIKey=GIBQERSGRNPMEH-RYUDHWBXSA-N
PubChem ID : 15560252
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.633879
Hydrogen bond donor count : 0 Electric dipole moment : 0.034
XLogP : 4.984 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.038000
Herb list :
Refrences & Litretures:
  
17.      Journal:'Pharm Biol'      Year:'2013'      Volume:'51'      Page:'888'      DOI:'10.3109/13880209.2013.768676'      Title:'Volatile composition and antimicrobial activity of the essential oil of Artemisia absinthium growing in Western Ghats region of North West Karnataka, India'
125.      Journal:'Chemistry of Natural Compounds'      Year:'2008'      Volume:'44'      Page:'124'      DOI:''      Title:'STUDY OF THE ESSENTIAL OIL VARIATION OF Ferula gummosa SAMPLES FROM IRAN'
324.      Journal:'Flavour Fragr. J'      Year:'1997'      Volume:'12'      Page:'331'      DOI:''      Title:'Chemical Composition of the Volatile Oil from the Fruits of Cinnamomum zeylanicum Blume'
325.      Journal:'J. Agric. Food Chem'      Year:'2003'      Volume:'51'      Page:'4344'      DOI:'10.1021/jf034169i'      Title:'Volatile Constituents from Cinnamomum zeylanicum Fruit Stalks and Their Antioxidant Activities'
326.      Journal:'Z. Naturforsch. C'      Year:'2002'      Volume:'57'      Page:'990'      DOI:''      Title:'Chemical Composition of Volatile Oil from Cinnamomum zeylanicum Buds'
363.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'273'      DOI:'10.3390/molecules14010273'      Title:'The Main Chemical Composition and in vitro Antifungal Activity of the Essential Oils of Ocimum basilicum Linn. var. pilosum (Willd.) Benth'
541.      Journal:'Journal of Essential Oil Research'      Year:'2005'      Volume:'17'      Page:'153'      DOI:'10.1080/10412905.2005.9698862'      Title:'Studies on Essential Oil Composition of Cultivars of Black Pepper (Piper nigrum L.)—V'
851.      Journal:'J. Essent. Oil Res'      Year:'1995'      Volume:'7'      Page:'147'      DOI:'10.1080/10412905.1995.9698489'      Title:'Chemical Composition of Eucalyptus globulus Oils from the Montenegro Coast and East Coast of Spain'
917.      Journal:'International Letters of Chemistry, Physics and Astronomy'      Year:'2013'      Volume:'13'      Page:'210'      DOI:'10.18052/www.scipress.com/ILCPA.13.210'      Title:'Chemical composition of Marrubium vulgare L. essential oil from Algeria'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us