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ScientificNameLabel
Pipitzol(o-Methyl,beta)
PHCD compound ID : 1059
Chemical Names :
Pipitzol(o-Methyl,beta)
Molecular Formula : C16H22O3
Molecular Weight : 262.156895
More Details :
Names & Synonyms:
Smiles: COC1=C(C)[C@@H]2C(=O)[C@@]3(C1=O)[C@H](C)CC[C@H]3C2(C)C
InChi : InChI=1S/C16H22O3/c1-8-6-7-10-15(3,4)11-9(2)12(19-5)14(18)16(8,10)13(11)17/h8,10-11H,6-7H2,1-5H3/t8-,10+,11-,16-/m1/s1
InChi Key : InChIKey=NFANDAUYLLKKGW-NXLFSVNTSA-N
PubChem ID :
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.087030
Hydrogen bond donor count : 0 Electric dipole moment : 2.785
XLogP : 2.782 VDW volume : 266.684141
Molecular weight : 262.156895 HOMO-LUMO gap : 8.819000
Herb list :
Refrences & Litretures:
  
109.      Journal:'AGRICULTURAL COMMUNICATIONS'      Year:'2014'      Volume:'2'      Page:'42'      DOI:''      Title:'Effect of Different Salinity Levels on Essential Oil Content and Composition of Dracocephalum moldavica'
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