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Eudesma-2,6,8-triene
PHCD compound ID : 3325
Chemical Names :
Eudesma-2,6,8-triene
Molecular Formula : C15H22
Molecular Weight : 202.172151
More Details :
Names & Synonyms: (8aS)-6-isopropyl-4,8a-dimethyl-4,4a-dihydro-1H-naphthalene , (8aS)-4,8a-dimethyl-6-propan-2-yl-4,4a-dihydro-1H-naphthalene
Smiles: C[C@@H]1C=CC[C@@]2([C@H]1C=C(C=C2)C(C)C)C
InChi : InChI=1S/C15H22/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h5-7,9-12,14H,8H2,1-4H3/t12-,14+,15+/m1/s1
InChi Key : InChIKey=BFYTTXKZKHLFMT-SNPRPXQTSA-N
PubChem ID : 91747309
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.720303
Hydrogen bond donor count : 0 Electric dipole moment : 0.491
XLogP : 6.02 VDW volume : 235.373935
Molecular weight : 202.172151 HOMO-LUMO gap : 9.193000
Herb list :
Refrences & Litretures:
  
453.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1997'      Volume:'12'      Page:'359'      DOI:''      Title:'Composition of the Essential Oils from Underground Parts of Valeriana o?cinalis L. s.l. and Several Closely Related Taxa'
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