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trans-Cadina-1,4-diene
PHCD compound ID : 2831
Chemical Names :
trans-Cadina-1,4-diene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S,4R)-4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7-hexahydronaphthalene , (1S,4R)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,7-hexahydronaphthalene
Smiles: CC1=C[C@H]2C(=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/h7,9-10,12-13,15H,5-6,8H2,1-4H3/t12-,13+,15+/m0/s1
InChi Key : InChIKey=JUQGWBAOQUBVFP-GZBFAFLISA-N
PubChem ID : 91746579
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.771097
Hydrogen bond donor count : 0 Electric dipole moment : 0.298
XLogP : 6.091 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.198000
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'
522.      Journal:'Maced. J. Chem. Chem. Eng'      Year:'2015'      Volume:'34'      Page:'333'      DOI:''      Title:'Essential oil composition of indigenous populations of Hypericum perforatum L. from southern Albania'
627.      Journal:'Chemistry of Natural Compounds'      Year:'2015'      Volume:'51'      Page:'171'      DOI:'10.1007/s10600-015-1233-8'      Title:'CHEMICAL COMPOSITION OF THE ALIPHATIC COMPOUND-RICH ESSENTIAL OIL OF Rosa foetida FROM IRAN'
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'
824.      Journal:'Macedonian pharmaceutical bulletin'      Year:'2014'      Volume:'60'      Page:'45'      DOI:''      Title:'Chemical composition of Chenopodium botrys L. (Chenopodiaceae) essential oil'
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