Skip Navigation Links
ScientificNameLabel
Beta-Maliene
PHCD compound ID : 4367
Chemical Names :
Beta-Maliene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1aR,3aS,7bS)-1,1,3a,7-tetramethyl-2,3,4,5,6,7b-hexahydro-1aH-cyclopropa[a]naphthalene
Smiles: CC1=C2[C@H]3[C@H](C3(C)C)CC[C@@]2(CCC1)C
InChi : InChI=1S/C15H24/c1-10-6-5-8-15(4)9-7-11-13(12(10)15)14(11,2)3/h11,13H,5-9H2,1-4H3/t11-,13-,15+/m1/s1
InChi Key : InChIKey=UPGLJTCDRBIZKP-KYOSRNDESA-N
PubChem ID : 101596917
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.661771
Hydrogen bond donor count : 0 Electric dipole moment : 0.383
XLogP : 5.848 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.161000
Herb list :
Refrences & Litretures:
  
647.      Journal:'Iranian Journal of Pharmaceutical Research'      Year:'2003'      Volume:'2'      Page:'245'      DOI:''      Title:'Composition of the Essential Oil of the Root of Heracleum persicum from Iran'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us