Skip Navigation Links
ScientificNameLabel
Acoradiene
PHCD compound ID : 345
Chemical Names :
Acoradiene , -Acoradiene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,4S,5S)-4-isopropenyl-1,8-dimethyl-spiro[4.5]dec-8-ene , (1R,4S,5S)-1,8-dimethyl-4-(1-methylethenyl)spiro[4.5]dec-8-ene , (1R,4S,5S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene , (1R,4S,5S)-1,8-dimethyl-4-prop-1-en-2-yl-spiro[4.5]dec-8-ene
Smiles: CC1=CC[C@@]2(CC1)[C@H](C)CC[C@H]2C(=C)C
InChi : InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13-14H,1,5-6,8-10H2,2-4H3/t13-,14+,15-/m1/s1
InChi Key : InChIKey=DVBSKQAFCDJNSL-QLFBSQMISA-N
PubChem ID : 90351
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.010131
Hydrogen bond donor count : 0 Electric dipole moment : 1.227
XLogP : 6.149 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.284000
Herb list :
Refrences & Litretures:
  
20.      Journal:'CHEMIJA'      Year:'2004'      Volume:'15'      Page:'64'      DOI:''      Title:'Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius'
29.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'250'      DOI:''      Title:'Aromas from Quebec. I. Composition of the essential oil of the rhizomes of Acorus calamus L'
405.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'2004'      Volume:'19'      Page:'311'      DOI:'10.1002/ffj.1302'      Title:'Chemical composition of the essential oil of Cuminum cyminum L. from China'
536.      Journal:'Journal of Analytical Methods in Chemistry'      Year:'2013'      Volume:''      Page:'246986'      DOI:'10.1155/2013/246986'      Title:'Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution'
704.      Journal:'Journal of Biologically Active Products from Nature'      Year:'2015'      Volume:'5'      Page:'1'      DOI:''      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Eugenia caryophyllata Cloves Extracted by Conventional and Microwave Techniques'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us