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ScientificNameLabel
longiborneol acetate
PHCD compound ID : 3314
Chemical Names :
longiborneol acetate
Molecular Formula : C17H28O2
Molecular Weight : 264.20893
More Details :
Names & Synonyms:
Smiles: CC(=O)O[C@@H]1[C@@H]2[C@H]3[C@@]([C@]1(C)CC3)(C)CCCC2(C)C
InChi : InChI=1S/C17H28O2/c1-11(18)19-14-13-12-7-10-17(14,5)16(12,4)9-6-8-15(13,2)3/h12-14H,6-10H2,1-5H3/t12-,13-,14+,16+,17+/m0/s1
InChi Key : InChIKey=NVBYJWWRRWURRN-AZGDMVHKSA-N
PubChem ID : 91753499
Rotatable bond count : 2 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 10.054045
Hydrogen bond donor count : 0 Electric dipole moment : 2.020
XLogP : 5.683 VDW volume : 280.462816
Molecular weight : 264.20893 HOMO-LUMO gap : 11.353000
Herb list :
Refrences & Litretures:
  
451.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'397'      DOI:'10.1080/10412905.2004.9698753'      Title:'Essential Oil of Valeriana officinalis L. s.l. Growing Wild in Western Serbia'
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