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ScientificNameLabel
Davanone B
PHCD compound ID : 1478
Chemical Names :
Davanone B
Molecular Formula : C15H24O2
Molecular Weight : 236.17763
More Details :
Names & Synonyms: 6-methyl-2-[(2S,5R)-5-methyl-5-vinyl-tetrahydrofuran-2-yl]hept-5-en-3-one , 2-[(2S,5R)-5-ethenyl-5-methyl-2-oxolanyl]-6-methyl-5-hepten-3-one , 2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one , 2-[(2S,5R)-5-ethenyl-5-methyl-oxolan-2-yl]-6-methyl-hept-5-en-3-one
Smiles: C=C[C@@]1(C)CC[C@H](O1)[C@H](C(=O)CC=C(C)C)C
InChi : InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3/t12-,14-,15-/m0/s1
InChi Key : InChIKey=FJKKZNIYYVEYOL-QEJZJMRPSA-N
PubChem ID : 6429031
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.324242
Hydrogen bond donor count : 0 Electric dipole moment : 3.949
XLogP : 2.72 VDW volume : 265.310847
Molecular weight : 236.17763 HOMO-LUMO gap : 10.087000
Herb list :
Refrences & Litretures:
  
158.      Journal:'JOURNAL OF BIOSCIENCE AND BIOENGINEERING'      Year:'2008'      Volume:'105'      Page:'176'      DOI:'10.1263/jbb.105.176'      Title:'Mass Propagation and Essential Oil Analysis of Artemisia vulgaris'
159.      Journal:'CHEMIJA'      Year:'2006'      Volume:'17'      Page:'12'      DOI:''      Title:'Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania'
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