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ScientificNameLabel
Dihydronepetalactone
PHCD compound ID : 1015
Chemical Names :
Dihydronepetalactone
Molecular Formula : C10H16O2
Molecular Weight : 168.11503
More Details :
Names & Synonyms: (4S,4aR,7S,7aR)-4,7-dimethyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
Smiles: C[C@@H]1COC(=O)[C@H]2[C@@H]1CC[C@@H]2C
InChi : InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-9H,3-5H2,1-2H3/t6-,7+,8+,9+/m0/s1
InChi Key : InChIKey=LSRNBGXEEKNZHN-JQCXWYLXSA-N
PubChem ID : 11019261
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.232202
Hydrogen bond donor count : 0 Electric dipole moment : 5.083
XLogP : 2.412 VDW volume : 171.747382
Molecular weight : 168.11503 HOMO-LUMO gap : 11.439000
Herb list :
Refrences & Litretures:
  
104.      Journal:'Journal of Chromatography A'      Year:'2009'      Volume:'1216'      Page:'2768'      DOI:'10.1016/j.chroma.2008.09.109'      Title:'Fast gas chromatography characterisation of puri?ed semiochemicals from essential oils of Matricaria chamomilla L. (Asteraceae) and Nepeta cataria L. (Lamiaceae)'
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