Details of Natural Product (NP)

General Information of Natural Product (ID: NP0611)
  Natural Product Name
Isobutyl Isovalerate
  Synonyms
ISOBUTYL ISOVALERATE; 589-59-3; 2-Methylpropyl 3-methylbutanoate; 2-Methylpropyl isovalerate; Isovaleric acid, isobutyl ester; Butanoic acid, 3-methyl-, 2-methylpropyl ester; Isobutyl isopentanoate; Isobutyl 3-methylpropanoate; 2-Methylpropyl 3-methylbutyrate; Isobutylisovalerate; Isovaleric Acid Isobutyl Ester; Isobutyl 3-methylbutanoate; NSC 6993; UNII-6VCJ0UB168; 6VCJ0UB168; MFCD00048349; Isobutyl isovalerate (natural); FEMA No. 3369; 2-methylpropyl-3-methylbutyrate; EINECS 209-653-8; BRN 1702649; AI3-33586; 3-Methylbutanoic acid 2-methylpropyl ester; Butyl isovalerate, natural; Isobutyl 3-methyl butyrate; SCHEMBL128660; DTXSID5060431; CHEBI:89086; FEMA 3369; NSC6993; NSC-6993; ZINC1566476; WLN: 1Y1&1VO1Y1&1; LMFA07010727; AKOS024437963; Isobutyl isovalerate, >=98.0% (GC); LS-13709; DB-053295; CS-0199173; FT-0627360; I0197; E79207; A869314; Isobutyl isovalerate, natural (US), >=99%, FG; Q27161264
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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)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3
  InChI Key KEBDNKNVCHQIJU-UHFFFAOYSA-N
  Isomeric SMILES CC(C)CC(=O)OCC(C)C
  Canonical SMILES CC(C)CC(=O)OCC(C)C
  External Links PubChem ID 11514
CAS ID 589-59-3

 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: 0.1 %
 
Locality: Piemonte region, Italy
 Whole plant Italy
NP Content: 0.2 %
References
1 Study on Roman Chamomile (Chamaemelum nobile L. All.) Oil