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ScientificNameLabel
Hedycaryol
PHCD compound ID : 1462
Chemical Names :
Hedycaryol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: 2-[(1S,3Z,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol , 2-[(1S,3Z,7Z)-4,8-dimethyl-1-cyclodeca-3,7-dienyl]-2-propanol
Smiles: CC1=CCCC(=CC[C@H](CC1)C(O)(C)C)C
InChi : InChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,14,16H,5,7-8,10-11H2,1-4H3/b12-6-,13-9-/t14-/m0/s1
InChi Key : InChIKey=SDMLCXJKAYFHQM-LIJSYYTGSA-N
PubChem ID : 6432240
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.996065
Hydrogen bond donor count : 1 Electric dipole moment : 1.611
XLogP : 4.191 VDW volume : 259.157079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.456000
Herb list :
Refrences & Litretures:
  
155.      Journal:'EJEAFChe'      Year:'2012'      Volume:'11'      Page:'493'      DOI:''      Title:'CHEMICAL COMPOSITION OF ESSENTIAL OIL OF ARTEMISIA VULGARIS FROM WEST AZERBAIJAN, IRAN'
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'
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