Skip Navigation Links
ScientificNameLabel
Sesquisabinene A
PHCD compound ID : 2797
Chemical Names :
Sesquisabinene A
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S,5S)-1-[(1R)-1,5-dimethylhex-4-enyl]-4-methylene-bicyclo[3.1.0]hexane , (1S,5S)-4-methylene-1-[(2R)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane , (1S,5S)-1-[(2R)-6-methylhept-5-en-2-yl]-4-methylidenebicyclo[3.1.0]hexane , (1S,5S)-1-[(2R)-6-methylhept-5-en-2-yl]-4-methylidene-bicyclo[3.1.0]hexane
Smiles: CC(=CCC[C@H]([C@]12CCC(=C)[C@@H]2C1)C)C
InChi : InChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15+/m1/s1
InChi Key : InChIKey=DYUSFBWNOCHOFP-ILXRZTDVSA-N
PubChem ID : 91753589
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.212572
Hydrogen bond donor count : 0 Electric dipole moment : 1.323
XLogP : 6.149 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.386000
Herb list :
Refrences & Litretures:
  
337.      Journal:'The Plant Cell'      Year:'2004'      Volume:'16'      Page:'1115'      DOI:'10.1105/tpc.019877'      Title:'The Variability of Sesquiterpenes Emitted from Two Zea mays Cultivars Is Controlled by Allelic Variation of Two Terpene Synthase Genes Encoding Stereoselective Multiple Product Enzymes'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us