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ScientificNameLabel
cis-Isolongifolanone
PHCD compound ID : 4483
Chemical Names :
cis-Isolongifolanone
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (3R,6R,9R)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene-10-one
Smiles: O=C1CCC([C@]23[C@H]1C(C)(C)[C@@H](C3)CC2)(C)C
InChi : InChI=1S/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3/t10-,12-,15-/m1/s1
InChi Key : InChIKey=VCOCESNMLNDPLX-IXPVHAAZSA-N
PubChem ID : 12217497
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.629372
Hydrogen bond donor count : 0 Electric dipole moment : 3.285
XLogP : 4.952 VDW volume : 237.08062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.795000
Herb list :
Refrences & Litretures:
  
659.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'37'      Page:'479'      DOI:'10.1016/j.indcrop.2011.07.024'      Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
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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