Skip Navigation Links
ScientificNameLabel
Zierone
PHCD compound ID : 2126
Chemical Names :
Zierone
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: (8R,8aS)-4-isopropylidene-3,8-dimethyl-1,2,6,7,8,8a-hexahydroazulen-5-one , (8R,8aS)-3,8-dimethyl-4-propan-2-ylidene-1,2,6,7,8,8a-hexahydroazulen-5-one
Smiles: C[C@@H]1CCC(=O)C(=C(C)C)C2=C(CC[C@@H]12)C
InChi : InChI=1S/C15H22O/c1-9(2)14-13(16)8-6-10(3)12-7-5-11(4)15(12)14/h10,12H,5-8H2,1-4H3/t10-,12+/m1/s1
InChi Key : InChIKey=OONKKRRSPIDEBA-PWSUYJOCSA-N
PubChem ID : 91752839
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.895440
Hydrogen bond donor count : 0 Electric dipole moment : 3.182
XLogP : 3.626 VDW volume : 244.164161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.612000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us