Skip Navigation Links
ScientificNameLabel
(Z)-valerenyl acetate
PHCD compound ID : 3319
Chemical Names :
(Z)-valerenyl acetate , cis-Valerenyl acetate
Molecular Formula : C17H26O2
Molecular Weight : 262.19328
More Details :
Names & Synonyms: [(Z)-3-(3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methyl-allyl] acetate , acetic acid [(Z)-3-(3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enyl] ester , [(Z)-3-(3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enyl] acetate , [(Z)-3-(3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methyl-prop-2-enyl] ethanoate , acetic acid [(Z)-3-(3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methyl-allyl] ester
Smiles: CC(=O)OC/C(=C\[C@H]1CC[C@@H]([C@H]2C1=C(C)CC2)C)/C
InChi : InChI=1S/C17H26O2/c1-11(10-19-14(4)18)9-15-7-5-12(2)16-8-6-13(3)17(15)16/h9,12,15-16H,5-8,10H2,1-4H3/b11-9-/t12-,15+,16-/m0/s1
InChi Key : InChIKey=GMTBKCJRMNJNFL-TUGPBICSSA-N
PubChem ID : 91730075
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.633280
Hydrogen bond donor count : 0 Electric dipole moment : 1.864
XLogP : 4.42 VDW volume : 287.546357
Molecular weight : 262.19328 HOMO-LUMO gap : 9.470000
Herb list :
Refrences & Litretures:
  
452.      Journal:'J. Agric. Food Chem'      Year:'2004'      Volume:'52'      Page:'3915'      DOI:'10.1021/jf0353990'      Title:'Essential Oil of Valeriana officinalis L. Cultivars and Their Antimicrobial Activity As Influenced by Harvesting Time under Commercial Organic Cultivation'
453.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1997'      Volume:'12'      Page:'359'      DOI:''      Title:'Composition of the Essential Oils from Underground Parts of Valeriana o?cinalis L. s.l. and Several Closely Related Taxa'
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us