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ScientificNameLabel
Patchoulol
PHCD compound ID : 790
Chemical Names :
Patchouli alcohol , Patchoulol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms:
Smiles: C[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@H](C2(C)C)CC3)C)O
InChi : InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1
InChi Key : InChIKey=GGHMUJBZYLPWFD-CUZKYEQNSA-N
PubChem ID : 10955174
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.760484
Hydrogen bond donor count : 1 Electric dipole moment : 1.636
XLogP : 4.332 VDW volume : 239.717079
Molecular weight : 222.198365 HOMO-LUMO gap : 12.866000
Herb list :
Refrences & Litretures:
  
54.      Journal:'Research Journal of Pharmacognosy'      Year:'2014'      Volume:'1'      Page:'51'      DOI:''      Title:'Assessment of chemical composition of essential oil of Ferula assa-foetida oleogum-resin from two different sites of Yazd province in center of Iran'
449.      Journal:'Molecules'      Year:'2010'      Volume:'15'      Page:'6411'      DOI:'10.3390/molecules15096411'      Title:'Chemical Analysis and Biological Activity of the Essential Oils of Two Valerianaceous Species from China: Nardostachys chinensis and Valeriana officinalis'
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'
576.      Journal:'Food Chemistry'      Year:'2011'      Volume:'129'      Page:'1305'      DOI:'10.1016/j.foodchem.2011.05.083'      Title:'Identi?cation of ambiguous cubeb fruit by DART-MS-based ?ngerprinting combined with principal component analysis'
898.      Journal:'DARU Journal of Pharmaceutical Sciences'      Year:'1999'      Volume:'7'      Page:'23'      DOI:''      Title:'Volatile constituents of the flower of Salvia hydrangea DC. ex Benth'
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