Skip Navigation Links
ScientificNameLabel
cis-alpha-Copaen-8-ol
PHCD compound ID : 4537
Chemical Names :
cis-alpha-Copaen-8-ol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms:
Smiles: CC([C@H]1[C@H](O)C[C@]2([C@H]3[C@@H]1[C@@H]2C(=CC3)C)C)C
InChi : InChI=1S/C15H24O/c1-8(2)12-11(16)7-15(4)10-6-5-9(3)14(15)13(10)12/h5,8,10-14,16H,6-7H2,1-4H3/t10-,11-,12+,13+,14+,15+/m1/s1
InChi Key : InChIKey=BVCNHEVITXGCEP-UMBPPFEGSA-N
PubChem ID : 577203
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.989664
Hydrogen bond donor count : 1 Electric dipole moment : 1.561
XLogP : 4.203 VDW volume : 237.08062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.337000
Herb list :
Refrences & Litretures:
  
678.      Journal:'Molecules'      Year:'2013'      Volume:'18'      Page:'14948'      DOI:'10.3390/molecules181214948'      Title:'Chemical Composition and Biological Activity of Essential Oils of Origanum vulgare L. subsp. vulgare L. under Different Growth Conditions'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us