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ScientificNameLabel
Faurinone
PHCD compound ID : 3327
Chemical Names :
Faurinone
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: 1-[(3aS,4S,5S,7aR)-5-isopropyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]ethanone , 1-[(3aS,4S,5S,7aR)-7a-methyl-5-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]ethanone
Smiles: CC(=O)[C@H]1[C@@H](CC[C@@]2([C@H]1CCC2)C)C(C)C
InChi : InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-13(15)14(12)11(3)16/h10,12-14H,5-9H2,1-4H3/t12-,13-,14-,15+/m0/s1
InChi Key : InChIKey=SSCVGFQOFLDIGI-ZQDZILKHSA-N
PubChem ID : 102577163
Rotatable bond count : 2 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.740728
Hydrogen bond donor count : 0 Electric dipole moment : 2.962
XLogP : 5.534 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.793000
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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