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ScientificNameLabel
Sibirene
PHCD compound ID : 4301
Chemical Names :
Sibirene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: 6-isopropyl-8a-methyl-4-methylene-1,2,3,4a,7,8-hexahydronaphthalene , 8a-methyl-4-methylene-6-propan-2-yl-1,2,3,4a,7,8-hexahydronaphthalene , 8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,7,8-hexahydronaphthalene
Smiles: C=C1CCC[C@]2([C@@H]1C=C(CC2)C(C)C)C
InChi : InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10-11,14H,3,5-9H2,1-2,4H3/t14-,15-/m1/s1
InChi Key : InChIKey=ALUIZDJKPCNAGJ-HUUCEWRRSA-N
PubChem ID : 14167644
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.177546
Hydrogen bond donor count : 0 Electric dipole moment : 1.378
XLogP : 6.045 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.460000
Herb list :
Refrences & Litretures:
  
627.      Journal:'Chemistry of Natural Compounds'      Year:'2015'      Volume:'51'      Page:'171'      DOI:'10.1007/s10600-015-1233-8'      Title:'CHEMICAL COMPOSITION OF THE ALIPHATIC COMPOUND-RICH ESSENTIAL OIL OF Rosa foetida FROM IRAN'
758.      Journal:'Chemistry of Natural Compounds'      Year:'2010'      Volume:'46'      Page:'813'      DOI:'10.1007/s10600-010-9754-7'      Title:'CHEMICAL CHARACTERISTICS OF THE SEED OF IRANIAN ENDEMIC PLANT Kelussia odoratissima'
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