Skip Navigation Links
ScientificNameLabel
Cryptofauronol
PHCD compound ID : 3331
Chemical Names :
Cryptofauronol
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms:
Smiles: CC([C@H]1C[C@]2(C)[C@@]3(C[C@H]1O[C@]2(O)CCC3)C)C
InChi : InChI=1S/C15H26O2/c1-10(2)11-8-14(4)13(3)6-5-7-15(14,16)17-12(11)9-13/h10-12,16H,5-9H2,1-4H3/t11-,12-,13+,14-,15-/m1/s1
InChi Key : InChIKey=UTNQUNGFEKWBQT-UXXRCYHCSA-N
PubChem ID : 6428530
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.310793
Hydrogen bond donor count : 1 Electric dipole moment : 1.548
XLogP : 4.084 VDW volume : 248.507305
Molecular weight : 238.19328 HOMO-LUMO gap : 11.343000
Herb list :
Refrences & Litretures:
  
453.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1997'      Volume:'12'      Page:'359'      DOI:''      Title:'Composition of the Essential Oils from Underground Parts of Valeriana o?cinalis L. s.l. and Several Closely Related Taxa'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us