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ScientificNameLabel
(-)-7-epi-Amiteol
PHCD compound ID : 5217
Chemical Names :
(-)-7-epi-Amiteol
Molecular Formula : C15H28O1
Molecular Weight : 224.214016
More Details :
Names & Synonyms: (1R,4aR,7S,8aR)-7-isopropyl-1,4a-dimethyl-decalin-1-ol , (1R,4aR,7S,8aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol , (1R,4aR,7S,8aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
Smiles: CC([C@H]1CC[C@@]2([C@@H](C1)[C@](C)(O)CCC2)C)C
InChi : InChI=1S/C15H28O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h11-13,16H,5-10H2,1-4H3/t12-,13+,14+,15+/m0/s1
InChi Key : InChIKey=PWTWAHBPEXYEQQ-GBJTYRQASA-N
PubChem ID : 91753156
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 10.062860
Hydrogen bond donor count : 1 Electric dipole moment : 1.698
XLogP : 5.54 VDW volume : 252.073537
Molecular weight : 224.214016 HOMO-LUMO gap : 13.247000
Herb list :
Refrences & Litretures:
  
825.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'498'      DOI:'10.1080/0972060X.2011.10643608'      Title:'Chemical Composition and Antimicrobial Activity of Chenopodium botrys L. Essential Oil'
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