Skip Navigation Links
ScientificNameLabel
Alpha–cubebene
PHCD compound ID : 4137
Chemical Names :
Alpha–cubebene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms:
Smiles: CC([C@@H]1CC[C@H]([C@]23[C@H]1[C@H]2C(=CC3)C)C)C
InChi : InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1
InChi Key : InChIKey=XUEHVOLRMXNRKQ-KHMAMNHCSA-N
PubChem ID : 86609
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.989587
Hydrogen bond donor count : 0 Electric dipole moment : 0.539
XLogP : 6.499 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.243000
Herb list :
Refrences & Litretures:
  
576.      Journal:'Food Chemistry'      Year:'2011'      Volume:'129'      Page:'1305'      DOI:'10.1016/j.foodchem.2011.05.083'      Title:'Identi?cation of ambiguous cubeb fruit by DART-MS-based ?ngerprinting combined with principal component analysis'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us