Skip Navigation Links
ScientificNameLabel
Methyl behenate
PHCD compound ID : 2581
Chemical Names :
Docosanoic acid, methyl ester(Docosanoic acid) , Methyl behenate , Behenic acid,methyl ester
Molecular Formula : C23H46O2
Molecular Weight : 354.349781
More Details :
Names & Synonyms: methyl docosanoate , docosanoic acid methyl ester , behenic acid methyl ester
Smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChi : InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3
InChi Key : InChIKey=QSQLTHHMFHEFIY-UHFFFAOYSA-N
PubChem ID : 13584
Rotatable bond count : 21 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.498597
Hydrogen bond donor count : 0 Electric dipole moment : 1.996
XLogP : 11.305 VDW volume : 421.3081
Molecular weight : 354.349781 HOMO-LUMO gap : 11.653000
Herb list :
Refrences & Litretures:
  
299.      Journal:'J. Med. Plants Res'      Year:'2011'      Volume:'5'      Page:'6972'      DOI:''      Title:'Chemical composition and antimicrobial activity of the flower and root hexane extracts of Althaea officinalis in Northwest Iran'
545.      Journal:'Plant Foods Hum Nutr'      Year:'2011'      Volume:'66'      Page:'261'      DOI:'10.1007/s11130-011-0248-y'      Title:'Comparative Study on the Chemical Composition, Antioxidant Properties and Hypoglycaemic Activities of Two Capsicum annuum L. Cultivars (Acuminatum small and Cerasiferum)'
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us