Skip Navigation Links
ScientificNameLabel
Germacrene D isomer 1
PHCD compound ID : 853
Chemical Names :
Germacrene D isomer 1
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (6E,8S)-8-isopropyl-1-methyl-5-methylene-cyclodeca-1,6-diene , (6E,8S)-1-methyl-5-methylene-8-propan-2-ylcyclodeca-1,6-diene , (6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene , (6E,8S)-1-methyl-5-methylidene-8-propan-2-yl-cyclodeca-1,6-diene
Smiles: CC1=CCCC(=C)C=C[C@@H](CC1)C(C)C
InChi : InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m0/s1
InChi Key : InChIKey=GAIBLDCXCZKKJE-RXJOXMPGSA-N
PubChem ID : 49796490
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.695428
Hydrogen bond donor count : 0 Electric dipole moment : 0.978
XLogP : 6.294 VDW volume : 247.730393
Molecular weight : 204.187801 HOMO-LUMO gap : 9.671000
Herb list :
Refrences & Litretures:
  
70.      Journal:'Journal of Pharmaceutical and Biomedical Analysis'      Year:'2002'      Volume:'29'      Page:'691'      DOI:''      Title:'GC/MS evaluation of thyme (Thymus vulgaris L.) oil composition and variations during the vegetative cycle'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us