Details of Natural Product (NP)

General Information of Natural Product (ID: NP0690)
  Natural Product Name
Neryl Isobutyrate
  Synonyms
Neryl isobutyrate; 2345-24-6; Geranyl 2-methylpropanoate; Propanoic acid, 2-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester; Propanoic acid, 2-methyl-, (2Z)-3,7-dimethyl-2,6-octadienyl ester; UNII-M9941BHL2O; geranyl isobutanoate; cis-3,7-Dimethyl-2,6-octadien-1-yl isobutyrate; M9941BHL2O; Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-; trans-3-7-Dimethyl-2,6-octadienyl isobutyrate; (2Z)-3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate; Isobutyric acid, (E)-3,7-dimethyl-2,6-octadienyl ester; Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-; Neryl isobutyrate (natural); 3,7-Dimethyl-2,6-octadienyl isobutyrate; FEMA No. 2775; Neryl 2-methylpropanoate, cis-; EINECS 219-061-1; Neryl iso-butyrate; 3,7-Dimethyl-2,6-octadienyl isobutyrate, (Z)-; Geraniol isobutyrate; geranyl iso-butyrate; neryl methylpropanoate; 3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate, cis-; 3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate, (Z)-; Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, (Z)-; GERANYLISOBUTYRATE; (Z)-2-Methylpropanoic acid 3,7-dimethyl-2,6-octadienyl ester; 3,7-Dimethyl-2,6-octadienyl isobutyrate, (E)-; 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate; Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (Z)-; 2,6-Octadien-1-ol, 3,7-dimethyl-, isobutyrate, trans-; Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, trans-; SCHEMBL1532475; [(2Z)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate; FEMA 2513; DTXSID30883828; neryl isobutyrate, No Antioxidant; CHEBI:171784; ZINC1850863; LMFA07010895; AKOS024319236; AS-75605; Neryl isobutyrate, >=97%, stabilized, FG; (E)-3,7-Dimethyl-2,6-octadienyl isobutyrate; E79175; 3,7-Dimethyl-isobutyratetrans-2,6-Octadien-1-ol; trans-3,7-dimethyl-2,6-octadien-1-yl isobutyrate; (2Z)-3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate; (E)-3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate; Q27283713; (2E)-3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate #; 3,7-Dimethyl-2,6-octadienyl estertrans-Isobutyric acid; Isobutyric acid (Z)-3,7-dimethyl-2,6-octadienyl ester; trans-3,7-Dimethyl-2,6-octadien-1-yl 2-methylpropanoate; Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, (Z)- (8CI); Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, trans-; Propanoic acid,2-methyl-,(2Z)-3,7-dimethyl-2,6-octadien-1-yl ester; Propionic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, trans-
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  Formula C14H24O2
  Weight 224.34
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9-
  InChI Key OGJYXQFXLSCKTP-LCYFTJDESA-N
  Isomeric SMILES CC(C)C(=O)OC/C=C(/C)\\CCC=C(C)C
  Canonical SMILES CC(C)C(=O)OCC=C(C)CCC=C(C)C
  External Links PubChem ID 5365991
CAS ID 2345-24-6

 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 + chrysanthenyl acetate type)
 Leaves Spain
NP Content: 0.12 %
      Species Name: Pulicaria dysenterica
  Factor Name: Locality Variation [2]
              Species Info Factor Info
               Experiment Detail
Aerial parts of P. dysenterica were collected during the flowering stage from two different locations in Greece in August 2002. Sample A: Katara (Perfecture Trikala). Sample B: Arahova (Perfecture Viotia).
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               Factor Function
Fifty-four components were identified representing 80.5% (sample A) and 72.6% (sample B) of the total oils. The main components in sample A were (Z)-nerolidol (11.2%), caryophyllene oxide (9.1%) and (E)-nerolidol (6.6%), while those of sample B were beta-caryophyllene (12.8%), caryophyllene oxide (12.8%) and (E)-nerolidol (6.9%).
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               Factor Part Location NP Content
 
Locality: Katara, Perfecture Trikala, Greece
 Aerial parts Greece
NP Content: 4.6 %
 
Locality: Arahova, Perfecture Viotia, Greece
 Aerial parts Greece
NP Content: 2.2 %
References
1 Essential Oil of Artemisia absinthium L. from the Spanish Pyrenees
2 Chemical Composition of Pulicaria dysenterica (L.) Bernh. from Greece