Details of Natural Product (NP)

General Information of Natural Product (ID: NP0606)
  Natural Product Name
Isopentyl Isobutyrate
  Synonyms
Isopentyl isobutyrate; Isoamyl isobutyrate; 2050-01-3; 3-Methylbutyl 2-methylpropanoate; Propanoic acid, 2-methyl-, 3-methylbutyl ester; Isobutyric Acid Isoamyl Ester; 3-Methylbutyl isobutyrate; Isobutyric acid, isopentyl ester; Isoamyl 2-methylpropanoate; Isopentyl 2-methylpropanoate; Isoamyl isobutanoate; Isopentyl isobutanoate; iso-Amyl iso-butyrate; UNII-RF0ZT103EG; RF0ZT103EG; 3-Methyl-1-butyl isobutyrate; Isopentyl alcohol, isobutyrate; 3-Methylbutyl 2-methylpropionate; WE(4:0(3Me)/3:0(2Me)); Isobutyric acid isoamyl; iso amyl 2-methyl propanoate; SCHEMBL351059; FEMA No. 3507; Isopentyl 2-methylpropanoate #; DTXSID0062131; CHEBI:87537; FEMA 3507; Isoamyl isobutyrate, >=98%, FG; CAA05001; ZINC2515951; EINECS 218-078-1; LMFA07010572; MFCD00053719; AKOS015907978; MCULE-3390836356; Isoamyl isobutyrate, natural, 98%, FG; AS-14782; M579; 2-methylpropanoic acid 3-methylbutyl ester; 3-Methylbutyl 2-methylpropanoate (natural); AI3-33583; CS-0128834; FT-0627322; I0676; A814610; Q27159709
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  Formula C9H18O2
  Weight 158.24
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
  InChI Key VFTGLSWXJMRZNB-UHFFFAOYSA-N
  Isomeric SMILES CC(C)CCOC(=O)C(C)C
  Canonical SMILES CC(C)CCOC(=O)C(C)C
  External Links PubChem ID 519786
CAS ID 2050-01-03

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Chamaemelum nobile
  Factor Name: Locality Variation [1]
              Species Info Factor Info
               Experiment Detail
Two different Roman chamomile oils were obtained from Giardino Officinale in Casola Valsenio (RA - Italy). One oil was distilled from chamomile plants grown in the Emilia-Romagna region (E), and the other one came from the Piemonte region (P) in Northern Italy
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               Factor Function
No significant differences were found in the composition of the two oils which were characterized by a high content of isobutyl angelate (36.3-38.5%), 2-methylbutyl angelate (18.2-20.3%) and other angelate esters.
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               Factor Part Location NP Content
 
Locality: Emilia-Romagna region, Italy
 Whole plant Italy
NP Content: 0.4 %
 
Locality: Piemonte region, Italy
 Whole plant Italy
NP Content: 0.4 %
      Species Name: Eucalyptus grandis
  Factor Name: Seasonal Variation [2]
              Species Info Factor Info
               Experiment Detail
Eucalyptus urophylla and E. grandis were collected in January (summer) and August (winter) 2006 at the mature vegetative state from Goiania city Brazil, and identified by one of the authors (E.P.F.). Leaves from 5-11 randomized individual plants of the same age representing the local population were collected as homogenous samples in each season, dried at room temperature.
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               Factor Function
The results were submitted to Principal Components and Clusters Analysis which enabled four groups of oils to be distinguished with regard to specimens and harvest seasons: clusters I and II with only E. grandis samples collected in the cold and dry winter and the hot and humid summer, which were characterized by a high percentage of isoleptospermone (9.6% and 13.2%), alpha-pinene (12.2% and 24.7%), p-cymene (20.5% and 14.5%), and alpha-terpineol (14.3% and 4.9%), respectively; clusters III and IV only associated with E. urophylla samples collected in summer and winter with 1,8-cineole (36.6% and 44.7%) and alpha-terpinyl acetate (7.0% and 11.7%) rich oils.
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               Factor Part Location NP Content
 
Harvesting time: Summer
 Whole plant Brazil
NP Content: 0.1 %
 
Harvesting time: Winter
 Whole plant Brazil
NP Content: 0.1 %
References
1 Study on Roman Chamomile (Chamaemelum nobile L. All.) Oil
2 Seasonal Influence on the Essential Oil Compositions of Eucalyptus urophylla S. T. Blake and E. grandis W. Hill ex Maiden from Brazilian Cerrado