Skip Navigation Links
ScientificNameLabel
allo-Aromadendr-9-ene
PHCD compound ID : 492
Chemical Names :
allo-Aromadendr-9-ene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1aS,4aR,7S,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,4a,5,6,7,7a,7b-octahydrocyclopropa[e]azulene , (1aS,4aR,7S,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,4a,5,6,7,7a,7b-octahydrocycloprop[e]azulene
Smiles: C[C@H]1CC[C@@H]2[C@H]1[C@@H]1[C@@H](C1(C)C)CC=C2C
InChi : InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h6,10-14H,5,7-8H2,1-4H3/t10-,11-,12-,13-,14-/m0/s1
InChi Key : InChIKey=DJAYTQZJAJXFDU-PEDHHIEDSA-N
PubChem ID : 100927811
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.065602
Hydrogen bond donor count : 0 Electric dipole moment : 0.548
XLogP : 6.499 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.512000
Herb list :
Refrences & Litretures:
  
30.      Journal:'Phytochemistry'      Year:'2005'      Volume:'66'      Page:'507'      DOI:'10.1016/j.phytochem.2005.01.007'      Title:'Identi?cation of an EcoRI restriction site for a rapid and precise determination of ?-asarone-free Acorus calamus cytotypes'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us