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ScientificNameLabel
Dihydrofarnesyl acetate
PHCD compound ID : 3367
Chemical Names :
Dihydrofarnesyl acetate
Molecular Formula : C17H30O2
Molecular Weight : 266.22458
More Details :
Names & Synonyms:
Smiles: C[C@H](CCC=C(C)C)CCC/C(=C/COC(=O)C)/C
InChi : InChI=1S/C17H30O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,12,15H,6-7,9-11,13H2,1-5H3/b16-12+/t15-/m1/s1
InChi Key : InChIKey=WQEUVUMCUDVKRF-XYGUXCPDSA-N
PubChem ID :
Rotatable bond count : 10 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.227850
Hydrogen bond donor count : 0 Electric dipole moment : 1.511
XLogP : 6.048 VDW volume : 312.259275
Molecular weight : 266.22458 HOMO-LUMO gap : 10.074000
Herb list :
Refrences & Litretures:
  
458.      Journal:'J Food Sci Technol'      Year:'2010'      Volume:'47'      Page:'598'      DOI:'10.1007/s13197-010-0109-y'      Title:'Chemical composition of Nigella sativa L. seed extracts obtained by supercritical carbon dioxide'
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