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4,8,12,16-tetramethylheptadecan-4-olide
PHCD compound ID : 2983
Chemical Names :
5-Methyl-5-(4,8,12-trimethyltridecyl)dihydro-2(3H)-furanone , 4,8,12,16-tetramethylheptadecan-4-olide
Molecular Formula : C21H40O2
Molecular Weight : 324.302831
More Details :
Names & Synonyms: 5-methyl-5-(4,8,12-trimethyltridecyl)tetrahydrofuran-2-one , 5-methyl-5-(4,8,12-trimethyltridecyl)-2-oxolanone , 5-methyl-5-(4,8,12-trimethyltridecyl)oxolan-2-one
Smiles: C[C@H](CCC[C@]1(C)CCC(=O)O1)CCC[C@@H](CCCC(C)C)C
InChi : InChI=1S/C21H40O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-15-21(5)16-14-20(22)23-21/h17-19H,6-16H2,1-5H3/t18-,19+,21-/m1/s1
InChi Key : InChIKey=LGWNRNDWDZHUNP-SVFBPWRDSA-N
PubChem ID : 567149
Rotatable bond count : 12 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.607567
Hydrogen bond donor count : 0 Electric dipole moment : 4.865
XLogP : 9.237 VDW volume : 374.359672
Molecular weight : 324.302831 HOMO-LUMO gap : 11.853000
Herb list :
Refrences & Litretures:
  
377.      Journal:'Pharmaceutical Biology'      Year:'2011'      Volume:'49'      Page:'756'      DOI:'10.3109/13880209.2010.547206'      Title:'Chemical constituents and bioactivities of the liposoluble fraction from different medicinal parts of Crocus sativus'
520.      Journal:'Pharmacognosy Magazine'      Year:'2013'      Volume:'9'      Page:'58'      DOI:'10.4103/0973-1296.108142'      Title:'Characterization and chemical composition of fatty acids content of watermelon and muskmelon cultivars in Saudi Arabia using gas chromatography/mass spectroscopy'
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