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ScientificNameLabel
2-hydroxy-3-[(9E)-9 octadecenoyloxy]propyl(9E)-9-octadcenoate
PHCD compound ID : 1729
Chemical Names :
2-hydroxy-3-[(9E)-9 octadecenoyloxy]propyl(9E)-9-octadcenoate , 2-hydroxy-3-[(9E)-9-octadecenoyloxy]propyl(9E)-9-octadecenoate
Molecular Formula : C39H72O5
Molecular Weight : 620.537975
More Details :
Names & Synonyms: [2-hydroxy-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate , (E)-9-octadecenoic acid [2-hydroxy-3-[(E)-1-oxooctadec-9-enoxy]propyl] ester , [2-hydroxy-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate , [3-[(E)-octadec-9-enoyl]oxy-2-oxidanyl-propyl] (E)-octadec-9-enoate , (E)-octadec-9-enoic acid [2-hydroxy-3-[(E)-octadec-9-enoyl]oxy-propyl] ester
Smiles: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C/CCCCCCCC)O
InChi : InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17+,20-18+
InChi Key : InChIKey=DRAWQKGUORNASA-XPWSMXQVSA-N
PubChem ID : 5316908
Rotatable bond count : 36 Rule of five : 2
Hydrogen bond acceptor count : 5 Ionization potential : 9.647394
Hydrogen bond donor count : 1 Electric dipole moment : 3.433
XLogP : 16.144 VDW volume : 716.505158
Molecular weight : 620.537975 HOMO-LUMO gap : 10.534000
Herb list :
Refrences & Litretures:
  
195.      Journal:'Int J Pharm Pharm Sci'      Year:'2014'      Volume:'6'      Page:'60'      DOI:''      Title:'GAS CHROMATOGRAPHY AND MASS SPECTROMETRY ANALYSIS OF BIOACTIVE CONSTITUENTS OF ADIANTUM CAPILLUS-VENERIS L'
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