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ScientificNameLabel
Junenol
PHCD compound ID : 3885
Chemical Names :
Junenol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (1S,2S,4aR,8aS)-2-isopropyl-4a-methyl-8-methylene-decalin-1-ol , (1S,2S,4aR,8aS)-4a-methyl-8-methylene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol , (1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
Smiles: C=C1CCC[C@]2([C@H]1[C@@H](O)[C@@H](CC2)C(C)C)C
InChi : InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13+,14-,15+/m0/s1
InChi Key : InChIKey=MSJJKJCIFIGTJY-LJISPDSOSA-N
PubChem ID : 6452077
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.524633
Hydrogen bond donor count : 1 Electric dipole moment : 2.489
XLogP : 4.499 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.933000
Herb list :
Refrences & Litretures:
  
525.      Journal:'J. Chem. Pharm. Res'      Year:'2010'      Volume:'2'      Page:'284'      DOI:''      Title:'Essential oil composition of Hypericum perforatum L. and Hypericum scabrum L. growing wild in Tajikistan'
907.      Journal:'Chem. Biodiversity'      Year:'2017'      Volume:'14'      Page:'e1700096'      DOI:'10.1002/cbdv.201700096'      Title:'Cytotoxic Essential Oils from Eryngium campestre and Eryngium amethystinum (Apiaceae) Growing in Central Italy'
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