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ScientificNameLabel
Alpha-Patchoulene
PHCD compound ID : 980
Chemical Names :
Alpha-Patchoulene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms:
Smiles: C[C@@H]1CC[C@@]23[C@H]1C[C@H](C3(C)C)CC=C2C
InChi : InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h5,10,12-13H,6-9H2,1-4H3/t10-,12-,13+,15+/m1/s1
InChi Key : InChIKey=KVQOADNSNSUAJT-PBOSXPJTSA-N
PubChem ID : 521710
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.918104
Hydrogen bond donor count : 0 Electric dipole moment : 0.390
XLogP : 6.403 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.375000
Herb list :
Refrences & Litretures:
  
95.      Journal:'Flavour Fragr. J'      Year:'2006'      Volume:'21'      Page:'274'      DOI:'10.1002/ffj.1582'      Title:'Essential oil composition of Matricaria recutita L. from the lower region of the Himalayas'
125.      Journal:'Chemistry of Natural Compounds'      Year:'2008'      Volume:'44'      Page:'124'      DOI:''      Title:'STUDY OF THE ESSENTIAL OIL VARIATION OF Ferula gummosa SAMPLES FROM IRAN'
451.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'397'      DOI:'10.1080/10412905.2004.9698753'      Title:'Essential Oil of Valeriana officinalis L. s.l. Growing Wild in Western Serbia'
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