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ScientificNameLabel
Tau-Cadinene
PHCD compound ID : 607
Chemical Names :
Tau-Cadinene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S)-1-isopropyl-7-methyl-4-methylene-2,3,4a,5,8,8a-hexahydro-1H-naphthalene , (1S)-7-methyl-4-methylene-1-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1H-naphthalene , (1S)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1H-naphthalene
Smiles: CC1=CC[C@@H]2[C@H](C1)[C@@H](CCC2=C)C(C)C
InChi : InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,10,13-15H,4,6-9H2,1-3H3/t13-,14-,15+/m0/s1
InChi Key : InChIKey=YOCDGWMCBBMMGJ-SOUVJXGZSA-N
PubChem ID : 91748321
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.040495
Hydrogen bond donor count : 0 Electric dipole moment : 1.247
XLogP : 5.946 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.499000
Herb list :
Refrences & Litretures:
  
35.      Journal:'Food Chemistry'      Year:'2010'      Volume:'123'      Page:'548'      DOI:'10.1016/j.foodchem.2010.04.064'      Title:'Volatile pro?ling of Ficus carica varieties by HS-SPME and GC–IT-MS'
536.      Journal:'Journal of Analytical Methods in Chemistry'      Year:'2013'      Volume:''      Page:'246986'      DOI:'10.1155/2013/246986'      Title:'Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution'
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