Skip Navigation Links
ScientificNameLabel
Beta-Barbatene
PHCD compound ID : 2626
Chemical Names :
Beta-Barbatene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms:
Smiles: C=C1CC[C@@]2(C[C@H]1[C@]1(C)CCC[C@]21C)C
InChi : InChI=1S/C15H24/c1-11-6-9-13(2)10-12(11)14(3)7-5-8-15(13,14)4/h12H,1,5-10H2,2-4H3/t12-,13-,14+,15-/m1/s1
InChi Key : InChIKey=RTONMYLSQISFQA-APIJFGDWSA-N
PubChem ID : 14109421
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.488958
Hydrogen bond donor count : 0 Electric dipole moment : 1.137
XLogP : 6.74 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.840000
Herb list :
Refrences & Litretures:
  
306.      Journal:'Int. J. Biol. Chem'      Year:'2010'      Volume:'4'      Page:'190'      DOI:'10.3923/ijbc.2010.190.202'      Title:'Screening of Chemical Analysis, Antioxidant Antimicrobial and Antitumor Activities of Essential Oil of Oleander (Nerium oleander) Flower'
745.      Journal:'J. Serb. Chem. Soc'      Year:'2011'      Volume:'76'      Page:'857'      DOI:'10.2298/JSC100830074Y'      Title:'Composition and in vitro antimicrobial activity of the essential oil of Dorema ammoniacum D. Don. fruit from Iran'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us