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ScientificNameLabel
trans-cadina-1(6)4-diene
PHCD compound ID : 2828
Chemical Names :
trans-Cadina-1(6),4-diene , trans-cadina-1(6)4-diene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,4S)-1-isopropyl-4,7-dimethyl-1,2,3,4,5,6-hexahydronaphthalene , (1R,4S)-4,7-dimethyl-1-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
Smiles: CC1=CC2=C(CC1)[C@@H](C)CC[C@@H]2C(C)C
InChi : InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-13H,5-8H2,1-4H3/t12-,13+/m0/s1
InChi Key : InChIKey=ULTBCADWJVQRCF-QWHCGFSZSA-N
PubChem ID : 10798255
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.210839
Hydrogen bond donor count : 0 Electric dipole moment : 0.713
XLogP : 5.643 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 8.968000
Herb list :
Refrences & Litretures:
  
341.      Journal:'Journal of Brewing and Distilling'      Year:'2011'      Volume:'2'      Page:'16'      DOI:''      Title:'Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing'
380.      Journal:'Food and Chemical Toxicology'      Year:'2008'      Volume:'46'      Page:'3295'      DOI:'10.1016/j.fct.2008.07.017'      Title:'Chemistry, antioxidant and antimicrobial investigations on essential oil and oleoresins of Zingiber officinale'
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'
577.      Journal:'J. Essent. Oil Res'      Year:'2007'      Volume:'19'      Page:'14'      DOI:'10.1080/10412905.2007.9699217'      Title:'Essential Oil Constituents of Piper cubeba L. fils. from Indonesia'
732.      Journal:'Chromatographia'      Year:'2011'      Volume:'73'      Page:'s163'      DOI:'10.1007/s10337-011-1910-0'      Title:'Chemical Composition and Chemometric Analysis of Variation in Essential Oils of Calendula officinalis L. during Vegetation Stages'
874.      Journal:'CHEMIJA'      Year:'2007'      Volume:'18'      Page:'44'      DOI:''      Title:'Influence of urban environment on chemical composition of essential oil of Tilia cordata'
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