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ScientificNameLabel
2-Monooctadecenoylglycerol
PHCD compound ID : 3913
Chemical Names :
2-Monooctadecenoylglycerol
Molecular Formula : C21H40O4
Molecular Weight : 356.29266
More Details :
Names & Synonyms: [2-hydroxy-1-(hydroxymethyl)ethyl] (Z)-octadec-9-enoate , (Z)-9-octadecenoic acid 1,3-dihydroxypropan-2-yl ester , 1,3-dihydroxypropan-2-yl (Z)-octadec-9-enoate , 1,3-bis(oxidanyl)propan-2-yl (Z)-octadec-9-enoate , (Z)-octadec-9-enoic acid (2-hydroxy-1-methylol-ethyl) ester
Smiles: CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO
InChi : InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
InChi Key : InChIKey=UPWGQKDVAURUGE-KTKRTIGZSA-N
PubChem ID : 5319879
Rotatable bond count : 19 Rule of five : 2
Hydrogen bond acceptor count : 4 Ionization potential : 9.488311
Hydrogen bond donor count : 2 Electric dipole moment : 4.192
XLogP : 7.132 VDW volume : 401.660125
Molecular weight : 356.29266 HOMO-LUMO gap : 10.081000
Herb list :
Refrences & Litretures:
  
533.      Journal:'Analyst'      Year:'2013'      Volume:'138'      Page:'6881'      DOI:'10.1039/c3an01478a'      Title:'Phytochemical analyses of Ziziphus jujuba Mill. var. spinosa seed by ultrahigh performance liquid chromatography-tandem mass spectrometry and gas chromatography-mass spectrometry'
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