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ScientificNameLabel
oleic acid Glyceride
PHCD compound ID : 5656
Chemical Names :
oleic acid Glyceride
Molecular Formula : C57H104O6
Molecular Weight : 884.783291
More Details :
Names & Synonyms: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate , (Z)-9-octadecenoic acid 2,3-bis[(Z)-1-oxooctadec-9-enoxy]propyl ester , 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate , (Z)-octadec-9-enoic acid 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl ester
Smiles: CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
InChi : InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-
InChi Key : InChIKey=PHYFQTYBJUILEZ-IUPFWZBJSA-N
PubChem ID : 5497163
Rotatable bond count : 53 Rule of five : 2
Hydrogen bond acceptor count : 6 Ionization potential : 9.503563
Hydrogen bond donor count : 0 Electric dipole moment : 3.134
XLogP : 25.156 VDW volume : 1031.35019
Molecular weight : 884.783291 HOMO-LUMO gap : 10.460000
Herb list :
Refrences & Litretures:
  
953.      Journal:'European Medicines Agency'      Year:'2008'      Volume:''      Page:''      DOI:''      Title:'ASSESSMENT REPORT ON POLYPODIUM VULGARE L., RHIZOMA'
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