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ScientificNameLabel
1-Heneicosyl formate
PHCD compound ID : 3993
Chemical Names :
1-Heneicosyl formate
Molecular Formula : C22H44O2
Molecular Weight : 340.334131
More Details :
Names & Synonyms: henicosyl formate , formic acid heneicosyl ester , henicosyl methanoate
Smiles: CCCCCCCCCCCCCCCCCCCCCOC=O
InChi : InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-23/h22H,2-21H2,1H3
InChi Key : InChIKey=ZMGJNJFHZNMVCW-UHFFFAOYSA-N
PubChem ID : 545651
Rotatable bond count : 21 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.763455
Hydrogen bond donor count : 0 Electric dipole moment : 1.794
XLogP : 11.028 VDW volume : 404.012115
Molecular weight : 340.334131 HOMO-LUMO gap : 11.684000
Herb list :
Refrences & Litretures:
  
546.      Journal:'Food Chemistry'      Year:'2007'      Volume:'102'      Page:'1096'      DOI:'10.1016/j.foodchem.2006.06.047'      Title:'Chemical and biological variability of hot pepper fruits (Capsicum annuum var. acuminatum L.) in relation to maturity stage'
627.      Journal:'Chemistry of Natural Compounds'      Year:'2015'      Volume:'51'      Page:'171'      DOI:'10.1007/s10600-015-1233-8'      Title:'CHEMICAL COMPOSITION OF THE ALIPHATIC COMPOUND-RICH ESSENTIAL OIL OF Rosa foetida FROM IRAN'
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