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9,14Dihydroxyoctaecanoic acid
PHCD compound ID : 68
Chemical Names :
9,14Dihydroxyoctaecanoic acid
Molecular Formula : C18H36O4
Molecular Weight : 316.26136
More Details :
Names & Synonyms: 9,14-dihydroxyoctadecanoic acid , 9,14-bis(oxidanyl)octadecanoic acid , 9,14-dihydroxystearic acid
Smiles: CCCC[C@@H](CCCC[C@@H](CCCCCCCC(=O)O)O)O
InChi : InChI=1S/C18H36O4/c1-2-3-11-16(19)13-9-10-14-17(20)12-7-5-4-6-8-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/t16-,17+/m0/s1
InChi Key : InChIKey=UHSVJNCEYVVOCB-DLBZAZTESA-N
PubChem ID : 5312768
Rotatable bond count : 16 Rule of five : 1
Hydrogen bond acceptor count : 4 Ionization potential : 10.466513
Hydrogen bond donor count : 3 Electric dipole moment : 4.408
XLogP : 4.538 VDW volume : 352.40863
Molecular weight : 316.26136 HOMO-LUMO gap : 11.394000
Herb list :
Refrences & Litretures:
  
3.      Journal:'Pharmacognosy Reviews'      Year:'2013'      Volume:'7'      Page:'199'      DOI:'10.4103/0973-7847.120524'      Title:'Pharmacological and therapeutic effects of Peganum harmala and its main alkaloids'
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