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ScientificNameLabel
cis-beta-Guaiene
PHCD compound ID : 3310
Chemical Names :
cis-beta-Guaiene , cis-beta-Guajene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,4R)-7-isopropylidene-1,4-dimethyl-2,3,4,5,6,8-hexahydro-1H-azulene , (1R,4R)-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-/m1/s1
InChi Key : InChIKey=GIBQERSGRNPMEH-VXGBXAGGSA-N
PubChem ID : 15560253
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.663744
Hydrogen bond donor count : 0 Electric dipole moment : 0.229
XLogP : 4.984 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.152000
Herb list :
Refrences & Litretures:
  
450.      Journal:'Journal of Chromatography A'      Year:'2008'      Volume:'1180'      Page:'159'      DOI:'10.1016/j.chroma.2007.12.011'      Title:'Essential oil composition of Valeriana officinalis L. roots cultivated in Iran Comparative analysis between supercritical CO2 extraction and hydrodistillation'
488.      Journal:'Flavour Fragr. J'      Year:'2001'      Volume:'16'      Page:'259'      DOI:'10.1002/ffj.993'      Title:'Essential oils of different cultivars of Cannabis sativa L. and their antimicrobial activity'
678.      Journal:'Molecules'      Year:'2013'      Volume:'18'      Page:'14948'      DOI:'10.3390/molecules181214948'      Title:'Chemical Composition and Biological Activity of Essential Oils of Origanum vulgare L. subsp. vulgare L. under Different Growth Conditions'
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