Skip Navigation Links
ScientificNameLabel
Epi-bicyclosesquiphellandrene
PHCD compound ID : 1208
Chemical Names :
Epi-bicyclosesquiphellandrene , Bicyclosesquiphellandrene , Epi- Bicyclosesquiphellandrene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,4S)-1-isopropyl-4-methyl-7-methylene-2,3,4,4a,5,6-hexahydro-1H-naphthalene , (1R,4S)-4-methyl-7-methylene-1-propan-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene , (1R,4S)-4-methyl-7-methylidene-1-propan-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
Smiles: C=C1CC[C@H]2C(=C1)[C@H](CC[C@@H]2C)C(C)C
InChi : InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-14H,3,5-8H2,1-2,4H3/t12-,13+,14+/m0/s1
InChi Key : InChIKey=RNDFUOKDULDZPR-BFHYXJOUSA-N
PubChem ID : 91747125
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.763790
Hydrogen bond donor count : 0 Electric dipole moment : 1.739
XLogP : 6.239 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 9.322000
Herb list :
Refrences & Litretures:
  
123.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2015'      Volume:'18'      Page:'1321'      DOI:'10.1080/0972060X.2015.1024445'      Title:'Chemical Composition of Essential Oils from Aerial Parts of Ferula gummosa (Apiaceae) in Jajarm Region, Iran Using Traditional Hydrodistillation and Solvent-Free Microwave Extraction Methods: A Comparative Approach'
493.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2008'      Volume:'11'      Page:'476'      DOI:'10.1080/0972060X.2008.10643656'      Title:'Composition and Antimicrobial Activity of the Essential Oils of Tanacetum balsamita L. subsp. balsamita and T. chiliophyllum (Fisch. et Mey.) Schultz Bip. var. chiliophyllum (Asteraceae) from Turkey'
523.      Journal:'Pharm Biol'      Year:'2014'      Volume:'52'      Page:'175'      DOI:'10.3109/13880209.2013.821663'      Title:'Chemical composition and bioactivity of essential oils of Hypericum helianthemoides, Hypericum perforatum and Hypericum scabrum'
678.      Journal:'Molecules'      Year:'2013'      Volume:'18'      Page:'14948'      DOI:'10.3390/molecules181214948'      Title:'Chemical Composition and Biological Activity of Essential Oils of Origanum vulgare L. subsp. vulgare L. under Different Growth Conditions'
697.      Journal:'Rec. Nat. Prod'      Year:'2009'      Volume:'3'      Page:'90'      DOI:''      Title:'Chemical Composition of the Essential Oil of Pistacia lentiscus L. from Eastern Morocco'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us