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ScientificNameLabel
Khusinol acetate
PHCD compound ID : 3074
Chemical Names :
Khusinol acetate
Molecular Formula : C17H26O2
Molecular Weight : 262.19328
More Details :
Names & Synonyms: [(1S,5S)-5-isopropyl-3-methyl-8-methylene-2,4a,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate , acetic acid [(1S,5S)-3-methyl-8-methylene-5-propan-2-yl-2,4a,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] ester , [(1S,5S)-3-methyl-8-methylidene-5-propan-2-yl-2,4a,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate , [(1S,5S)-3-methyl-8-methylidene-5-propan-2-yl-2,4a,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] ethanoate , acetic acid [(1S,5S)-5-isopropyl-3-methyl-8-methylene-2,4a,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] ester
Smiles: CC(=O)O[C@H]1CC(=C[C@H]2[C@@H]1C(=C)CC[C@H]2C(C)C)C
InChi : InChI=1S/C17H26O2/c1-10(2)14-7-6-12(4)17-15(14)8-11(3)9-16(17)19-13(5)18/h8,10,14-17H,4,6-7,9H2,1-3,5H3/t14-,15+,16-,17-/m0/s1
InChi Key : InChIKey=FRBOFOXWQNXDHB-YVSFHVDLSA-N
PubChem ID : 91746699
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.139960
Hydrogen bond donor count : 0 Electric dipole moment : 2.442
XLogP : 4.386 VDW volume : 287.546357
Molecular weight : 262.19328 HOMO-LUMO gap : 10.341000
Herb list :
Refrences & Litretures:
  
395.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2009'      Volume:'12'      Page:'111'      DOI:'10.1080/0972060X.2009.10643700'      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Hyssopus angustifolius M.B'
827.      Journal:'Journal of Essential Oil Research'      Year:'2003'      Volume:'15'      Page:'193'      DOI:'10.1080/10412905.2003.9712110'      Title:'Chemical Composition of the Essential Oils of Chenopodium botrys L. from Two Different Locations in Iran'
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