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Nervonic acid methyl ester
PHCD compound ID : 5284
Chemical Names :
Nervonic acid methyl ester
Molecular Formula : C26H31N3O4
Molecular Weight : 449.231456
More Details :
Names & Synonyms: methyl (Z)-tetracos-15-enoate , (Z)-15-tetracosenoic acid methyl ester , methyl (Z)-tetracos-15-enoate , (Z)-tetracos-15-enoic acid methyl ester
Smiles: CCN(CCCN1[C@@H](c2ccncc2)/C(=C(\c2ccc3c(c2)C[C@@H](O3)C)/O)/C(=O)C1=O)CC
InChi : InChI=1S/C26H31N3O4/c1-4-28(5-2)13-6-14-29-23(18-9-11-27-12-10-18)22(25(31)26(29)32)24(30)19-7-8-21-20(16-19)15-17(3)33-21/h7-12,16-17,23,30H,4-6,13-15H2,1-3H3/b24-22-/t17-,23-/m0/s1
InChi Key : InChIKey=VCQOOMXHHAWUJK-QWGTWGDHSA-N
PubChem ID : 5364841
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 8.835610
Hydrogen bond donor count : 1 Electric dipole moment : 9.118
XLogP : 1.183 VDW volume : 431.449283
Molecular weight : 449.231456 HOMO-LUMO gap : 8.181000
Herb list :
Refrences & Litretures:
  
845.      Journal:'Pak. J. Bot'      Year:'2011'      Volume:'43'      Page:'1351'      DOI:''      Title:'PHYTOCHEMICAL ANALYSIS AND ANTIBACTERIAL ACTIVITY OF ERUCA SATIVA SEED'
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