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ScientificNameLabel
bulnesene
PHCD compound ID : 5294
Chemical Names :
bulnesene
Molecular Formula : C15H26
Molecular Weight : 206.203451
More Details :
Names & Synonyms: (3S,3aS,5R)-5-isopropyl-3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulene , (3S,3aS,5R)-3,8-dimethyl-5-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene , (3S,3aS,5R)-3,8-dimethyl-5-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene
Smiles: CC([C@@H]1CCC(=C2[C@@H](C1)[C@@H](C)CC2)C)C
InChi : InChI=1S/C15H26/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h10,12-13,15H,5-9H2,1-4H3/t12-,13+,15-/m0/s1
InChi Key : InChIKey=AAPYGFMEZRXPJI-GUTXKFCHSA-N
PubChem ID : 16679399
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.727737
Hydrogen bond donor count : 0 Electric dipole moment : 0.171
XLogP : 6.312 VDW volume : 240.646852
Molecular weight : 206.203451 HOMO-LUMO gap : 10.327000
Herb list :
Refrences & Litretures:
  
851.      Journal:'J. Essent. Oil Res'      Year:'1995'      Volume:'7'      Page:'147'      DOI:'10.1080/10412905.1995.9698489'      Title:'Chemical Composition of Eucalyptus globulus Oils from the Montenegro Coast and East Coast of Spain'
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