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Versalide
PHCD compound ID : 3786
Chemical Names :
7-Acetyl-6-ethyl-1.1.4.4-tetramethyltetralin , Versalide
Molecular Formula : C18H26O1
Molecular Weight : 258.198365
More Details :
Names & Synonyms: 1-(7-ethyl-1,1,4,4-tetramethyl-tetralin-6-yl)ethanone , 1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
Smiles: CCc1cc2c(cc1C(=O)C)C(C)(C)CCC2(C)C
InChi : InChI=1S/C18H26O/c1-7-13-10-15-16(11-14(13)12(2)19)18(5,6)9-8-17(15,3)4/h10-11H,7-9H2,1-6H3
InChi Key : InChIKey=KSEZPRJUTHMFGZ-UHFFFAOYSA-N
PubChem ID : 6930
Rotatable bond count : 2 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.151129
Hydrogen bond donor count : 0 Electric dipole moment : 3.397
XLogP : 5.304 VDW volume : 282.515656
Molecular weight : 258.198365 HOMO-LUMO gap : 9.359000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
672.      Journal:'Molecules'      Year:'2012'      Volume:'17'      Page:'11173'      DOI:'10.3390/molecules170911173'      Title:'Chemical Composition of Hexane Extract of Citrus aurantifolia and Anti-Mycobacterium tuberculosis Activity of Some of Its Constituents'
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