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ScientificNameLabel
Alpha-Neoclevene
PHCD compound ID : 5314
Chemical Names :
Alpha-Neoclevene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,6S)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene , (1R,6S)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene
Smiles: CC1=CCC[C@@]2([C@]31CC[C@H]2C(C3)(C)C)C
InChi : InChI=1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h6,12H,5,7-10H2,1-4H3/t12-,14-,15+/m0/s1
InChi Key : InChIKey=ZCJQJJWNFDNQGZ-AEGPPILISA-N
PubChem ID : 16218441
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.000585
Hydrogen bond donor count : 0 Electric dipole moment : 0.316
XLogP : 6.501 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.416000
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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