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ScientificNameLabel
Cis-vaccenic acid
PHCD compound ID : 1728
Chemical Names :
Cis-vaccenic acid
Molecular Formula : C18H34O2
Molecular Weight : 282.25588
More Details :
Names & Synonyms: (Z)-octadec-11-enoic acid , (Z)-11-octadecenoic acid , asclepic acid
Smiles: CCCCCC/C=C\CCCCCCCCCC(=O)O
InChi : InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-
InChi Key : InChIKey=UWHZIFQPPBDJPM-FPLPWBNLSA-N
PubChem ID : 5282761
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.609322
Hydrogen bond donor count : 1 Electric dipole moment : 1.636
XLogP : 8.192 VDW volume : 332.191718
Molecular weight : 282.25588 HOMO-LUMO gap : 10.564000
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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