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ScientificNameLabel
Alpha-Panasinsene
PHCD compound ID : 3303
Chemical Names :
Alpha-Panasinsene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: 2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene , 2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobut[i]indene
Smiles: CC1=CCC[C@@]2([C@@]31CC([C@H]3CC2)(C)C)C
InChi : InChI=1S/C15H24/c1-11-6-5-8-14(4)9-7-12-13(2,3)10-15(11,12)14/h6,12H,5,7-10H2,1-4H3/t12-,14+,15-/m1/s1
InChi Key : InChIKey=WHXUZXDWQKUIJL-VHDGCEQUSA-N
PubChem ID : 578929
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.980635
Hydrogen bond donor count : 0 Electric dipole moment : 0.643
XLogP : 6.501 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.389000
Herb list :
Refrences & Litretures:
  
449.      Journal:'Molecules'      Year:'2010'      Volume:'15'      Page:'6411'      DOI:'10.3390/molecules15096411'      Title:'Chemical Analysis and Biological Activity of the Essential Oils of Two Valerianaceous Species from China: Nardostachys chinensis and Valeriana officinalis'
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