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ScientificNameLabel
7-Epi-alpha-salinene
PHCD compound ID : 5316
Chemical Names :
7-Epi-alpha-salinene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: 3-isopropenyl-5,8a-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene , 5,8a-dimethyl-3-(1-methylethenyl)-2,3,4,4a,7,8-hexahydro-1H-naphthalene , 5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene , 5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
Smiles: CC1=CCC[C@@]2([C@H]1C[C@@H](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/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14+,15+/m1/s1
InChi Key : InChIKey=OZQAPQSEYFAMCY-ILXRZTDVSA-N
PubChem ID : 10123
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.089810
Hydrogen bond donor count : 0 Electric dipole moment : 0.941
XLogP : 6.145 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.370000
Herb list :
Refrences & Litretures:
  
861.      Journal:'Arabian Journal of Chemistry'      Year:'2016'      Volume:'9'      Page:'S1190'      DOI:'10.1016/j.arabjc.2012.01.003'      Title:'Variation in essential oil composition of Iris nigricans Dinsm. (Iridaceae) endemic to Jordan at di?erent ?owering stages'
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