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ScientificNameLabel
5-Epi-Paradisol
PHCD compound ID : 1976
Chemical Names :
5-Epi-Paradisol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (1S,4aR,7S,8aS)-7-isopropenyl-1,4a-dimethyl-decalin-1-ol , (1S,4aR,7S,8aS)-1,4a-dimethyl-7-(1-methylethenyl)-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol , (1S,4aR,7S,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
Smiles: CC(=C)[C@H]1CC[C@@]2([C@H](C1)[C@@](C)(O)CCC2)C
InChi : InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,14+,15-/m0/s1
InChi Key : InChIKey=DPQYOKVMVCQHMY-XQLPTFJDSA-N
PubChem ID : 15560332
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.639753
Hydrogen bond donor count : 1 Electric dipole moment : 1.394
XLogP : 4.724 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.928000
Herb list :
Refrences & Litretures:
  
233.      Journal:'Arabian Journal of Chemistry'      Year:'2013'      Volume:''      Page:''      DOI:'10.1016/j.arabjc.2013.08.015'      Title:'Chemical composition analysis of the essential oil of Solanumn nigrum L. by HS/SPME method and calculation of the biochemical coe?cients of the components'
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