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ScientificNameLabel
Lanceol acetate
PHCD compound ID : 357
Chemical Names :
Lanceol acetate , 2-Lanceol acetate
Molecular Formula : C17H26O2
Molecular Weight : 262.19328
More Details :
Names & Synonyms: [(2Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,6-dienyl] acetate , acetic acid [(2Z)-2-methyl-6-(4-methyl-1-cyclohex-3-enyl)hepta-2,6-dienyl] ester , [(2Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,6-dienyl] ethanoate , acetic acid [(2Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,6-dienyl] ester
Smiles: CC(=O)OC/C(=C\CCC(=C)[C@H]1CCC(=CC1)C)/C
InChi : InChI=1S/C17H26O2/c1-13-8-10-17(11-9-13)15(3)7-5-6-14(2)12-19-16(4)18/h6,8,17H,3,5,7,9-12H2,1-2,4H3/b14-6-/t17-/m1/s1
InChi Key : InChIKey=BSYWXGDMWUUHDZ-JJKQHFEOSA-N
PubChem ID : 91748704
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.034806
Hydrogen bond donor count : 0 Electric dipole moment : 1.918
XLogP : 4.41 VDW volume : 297.266357
Molecular weight : 262.19328 HOMO-LUMO gap : 9.935000
Herb list :
Refrences & Litretures:
  
20.      Journal:'CHEMIJA'      Year:'2004'      Volume:'15'      Page:'64'      DOI:''      Title:'Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius'
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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