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ScientificNameLabel
trans-beta-Guaiene
PHCD compound ID : 4085
Chemical Names :
trans-beta-Guaiene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,4S)-7-isopropylidene-1,4-dimethyl-2,3,4,5,6,8-hexahydro-1H-azulene , (1R,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-NWDGAFQWSA-N
PubChem ID : 92173696
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.622963
Hydrogen bond donor count : 0 Electric dipole moment : 0.095
XLogP : 4.984 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.099000
Herb list :
Refrences & Litretures:
  
562.      Journal:'chemija'      Year:'2008'      Volume:'19'      Page:'25'      DOI:''      Title:'Volatile constituents from aerial parts and roots of Cichorium intybus L. (chicory) grown in Lithuania'
563.      Journal:'??????'      Year:'2009'      Volume:'31'      Page:'77'      DOI:''      Title:'Essential Oil Compositions and Bioactivities of the Various Pa r t s of Cinnamomum camphora Sieb. var. linaloolifera Fujuta'
796.      Journal:'Journal of Food Science'      Year:'2005'      Volume:'70'      Page:'M208'      DOI:'10.1111/j.1365-2621.2005.tb07190.x'      Title:'Chemical Constituents, Antimicrobial Investigations, and Antioxidative Potentials of Anethum graveolens L. Essential Oil and Acetone Extract: Part 52'
875.      Journal:'J. Essent. Oil Res'      Year:'2007'      Volume:'19'      Page:'183'      DOI:'10.1080/10412905.2007.9699255'      Title:'olatile Constituents and Antimicrobial Activity of Tilia tomentosa Moench and Tilia cordata Miller Oils'
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