General Information of Natural Product (ID: NP1104)
  Natural Product Name
Neryl 2-Methylbutyrate
  Synonyms
Neryl 2-methylbutyrate; 51117-19-2; [(2Z)-3,7-dimethylocta-2,6-dienyl] 2-methylbutanoate; Butanoic acid, 2-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester; Neryl 2-methyl butyrate; (Z)-3,7-Dimethylocta-2,6-dienyl 2-methylbutyrate; EINECS 256-994-3; neryl 2-methylbutanoate; DTXSID50885940; Butanoic acid, 2-methyl-, (2Z)-3,7-dimethyl-2,6-octadienyl ester; Butanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (Z)-; 2-Methylbutanoic acid (Z)-3,7-dimethyl-2,6-octadienyl ester
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  Formula C15H26O2
  Weight 238.37
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10-
  InChI Key PEQMAZJTEUEQJP-RAXLEYEMSA-N
  Isomeric SMILES CCC(C)C(=O)OC/C=C(/C)\\CCC=C(C)C
  Canonical SMILES CCC(C)C(=O)OCC=C(C)CCC=C(C)C
  External Links PubChem ID 6429034
CAS ID 51117-19-2

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Artemisia absinthium
  Factor Name: Chemotype Comparison [1]
              Species Info Factor Info
               Experiment Detail
Ten different plants of wormwood were collected in March 1997 from each one of the following four wild populations in the Spanish Pyrenees: Tallo de Aulet (prov. Huesca) and Pont de Suert, Sort and Farga de Moles (prov. Lleida). In three of the four populations studied, there was another chemotype, with 25-65% of cis-epoxyocimene and 15-50% of chrysanthenyl acetate. This chemotype, called chemotype B, was less frequent in the Pyrenees than the chemotype A, appearing only in 17% of the samples (two samples in TallO de Aulet and in Pont de Suert and three samples in Farga de Moles).
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               Factor Function
Two chemotypes were detected; a cis-epoxyocimene type (with more than 50% of this compound) which was predominant in all the populations, and a cis-epoxyocimene + chrysanthenyl acetate type (with 25-65% of cis-epoxyocimene and 15-50% of chrysanthenyl acetate). The distribution of these chemotypes had no relation with the altitude of the samples.
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               Factor Part Location NP Content
 
Chemotype (cis-epoxyocimene type)
Leaves Spain
NP Content: 0.07 %
 
Chemotype (cis-epoxyocimene + chrysanthenyl acetate type)
Leaves Spain
NP Content: 0.1 %
References
1 Essential Oil of Artemisia absinthium L. from the Spanish Pyrenees