Skip Navigation Links
ScientificNameLabel
selinen-11-en-4-alpha-ol
PHCD compound ID : 4562
Chemical Names :
selinen-11-en-4-alpha-ol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (1R,4aS,7S)-7-isopropenyl-1,4a-dimethyl-decalin-1-ol , (1R,4aS,7S)-1,4a-dimethyl-7-(1-methylethenyl)-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol , (1R,4aS,7S)-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-ZQDZILKHSA-N
PubChem ID : 6429281
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.572623
Hydrogen bond donor count : 1 Electric dipole moment : 1.773
XLogP : 4.724 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.916000
Herb list :
Refrences & Litretures:
  
698.      Journal:'Journal of Essential Oil Research'      Year:'2015'      Volume:'27'      Page:'465'      DOI:'10.1080/10412905.2015.1065773'      Title:'Chemical composition of essential oils of leaves and flowers from five cultivars of myrtle (Myrtus communis L.)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us