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ScientificNameLabel
Vetivenic acid
PHCD compound ID : 4490
Chemical Names :
Vetivenic acid
Molecular Formula : C15H22O2
Molecular Weight : 234.16198
More Details :
Names & Synonyms:
Smiles: OC(=O)[C@@H]1CC[C@@H]2[C@]31CC[C@@H](C3)C(C2=C)(C)C
InChi : InChI=1S/C15H22O2/c1-9-11-4-5-12(13(16)17)15(11)7-6-10(8-15)14(9,2)3/h10-12H,1,4-8H2,2-3H3,(H,16,17)/t10-,11-,12-,15-/m0/s1
InChi Key : InChIKey=IJGMVUXEZUEDJR-ASHKBJFXSA-N
PubChem ID : 85973
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.641204
Hydrogen bond donor count : 1 Electric dipole moment : 1.451
XLogP : 4.355 VDW volume : 243.234388
Molecular weight : 234.16198 HOMO-LUMO gap : 10.597000
Herb list :
Refrences & Litretures:
  
659.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'37'      Page:'479'      DOI:'10.1016/j.indcrop.2011.07.024'      Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
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