Skip Navigation Links
ScientificNameLabel
modhephene
PHCD compound ID : 2121
Chemical Names :
Modheph-2-ene , modhephene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms:
Smiles: C[C@@H]1CC[C@@]23[C@@]1(CCC2)C(=CC3(C)C)C
InChi : InChI=1S/C15H24/c1-11-6-9-14-7-5-8-15(11,14)12(2)10-13(14,3)4/h10-11H,5-9H2,1-4H3/t11-,14+,15-/m1/s1
InChi Key : InChIKey=APGXRXFCBZKIAN-BYCMXARLSA-N
PubChem ID : 11030947
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.122428
Hydrogen bond donor count : 0 Electric dipole moment : 0.497
XLogP : 6.303 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.527000
Herb list :
Refrences & Litretures:
  
252.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'39'      Page:'177'      DOI:'10.1016/j.indcrop.2012.02.030'      Title:'Rhizome and root yield of the cultivated Arnica montana L., chemical composition and histochemical localization of essential oil'
254.      Journal:'Journal of Essential Oil Research'      Year:'2011'      Volume:'23'      Page:'91'      DOI:'10.1080/10412905.2011.9700432'      Title:'Constituents of the Essential Oil from Hairy Roots and Plant Roots of Arnica montana L'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us