Skip Navigation Links
ScientificNameLabel
Pinocarvyl acetate
PHCD compound ID : 423
Chemical Names :
Trance-pinocarvilacetate , Pinocarvyl acetate , pinocarveyl acetate , trans-Pinocarveol acetate
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: (6,6-dimethyl-2-methylene-norpinan-3-yl) acetate , acetic acid (6,6-dimethyl-4-methylene-3-bicyclo[3.1.1]heptanyl) ester , (6,6-dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl) acetate , (6,6-dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl) ethanoate , acetic acid (6,6-dimethyl-2-methylene-norpinan-3-yl) ester
Smiles: CC(=O)O[C@H]1C[C@@H]2C[C@H](C1=C)C2(C)C
InChi : InChI=1S/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10+,11-/m0/s1
InChi Key : InChIKey=UDBAGFUFASPUFS-AXFHLTTASA-N
PubChem ID : 102553
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.735460
Hydrogen bond donor count : 0 Electric dipole moment : 2.138
XLogP : 2.932 VDW volume : 203.702893
Molecular weight : 194.13068 HOMO-LUMO gap : 10.598000
Herb list :
Refrences & Litretures:
  
24.      Journal:'J. Iran. Chem. Soc'      Year:'2010'      Volume:'7'      Page:'216'      DOI:''      Title:'Chemical Composition and In vitro Antioxidant and Antidiabetic Activities of Eucalyptus Camaldulensis Dehnh. Essential Oil'
411.      Journal:'Plant Foods Hum Nutr'      Year:'2008'      Volume:'63'      Page:'183'      DOI:'10.1007/s11130-008-0091-y'      Title:'Antioxidant Activity and Chemical Characterization of Essential Oil of Bunium persicum'
662.      Journal:'Fitoterapia'      Year:'2002'      Volume:'73'      Page:'532'      DOI:'10.1016/S0367-326X(02)00175-2'      Title:'Antibacterial and antioxidant activities of Artemisia annua essential oil'
669.      Journal:'American Journal of Essential Oils and Natural Products'      Year:'2014'      Volume:'2'      Page:'8'      DOI:''      Title:'Comparative analysis of essential oils of Citrus aurantifolia Swingle and Citrus reticulata Blanco, from two different localities of Lagos State, Nigeria'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us