Details of Natural Product (NP)

General Information of Natural Product (ID: NP1118)
  Natural Product Name
Octyl Isovalerate
  Synonyms
Octyl isovalerate; Octyl 3-methylbutanoate; 7786-58-5; Octyl isopentanoate; Isovaleric acid, octyl ester; Butanoic acid, 3-methyl-, octyl ester; Octyl isovalerianate; ENT 30598; Octyl 3-methylbutyrate; octyl 3-methyl-butanoate; UNII-TR83HG1KKX; TR83HG1KKX; Isovaleric acid, octyl ester (8CI); WE(8:0/4:0(3Me)); n-Octyl-3-methyl butyrate; Octyl isovalerate (natural); FEMA No. 2814; n-Octylisovalerianat; EINECS 232-100-7; NSC 21891; AI3-30598; Isovaleric acid octyl ester; SCHEMBL872735; DTXSID9064847; FEMA 2814; CHEBI:180099; Octyl isovalerate, >=98%, FG; NSC21891; ZINC1584039; 3- methyl butanoic acid octyl ester; Butanoic acid,3-methyl-,octyl ester; LMFA07010512; NSC-21891; Q27290204
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  Formula C13H26O2
  Weight 214.34
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-15-13(14)11-12(2)3/h12H,4-11H2,1-3H3
  InChI Key FUBGRVHGQADOJI-UHFFFAOYSA-N
  Isomeric SMILES CCCCCCCCOC(=O)CC(C)C
  Canonical SMILES CCCCCCCCOC(=O)CC(C)C
  External Links PubChem ID 228769
CAS ID 7786-58-5

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Acacia nuperrima ssp. Cassitera
  Factor Name: Chemotype Comparison [1]
              Species Info Factor Info
               Experiment Detail
The leaves and terminal branchlets were collected in the Dimbulah region of north eastern Queensland, Australia. The first collection (R99-218) was located 5 km north and the second collection (R99-219) 30 km west of Dimbulah.
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               Factor Function
Two chemical forms yielding 0.6% and 0.3% on a dry weight basis were found to be rich in kessane (88.8%) and alpha-pinene (16.2%), respectively.
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               Factor Part Location NP Content
 
Chemotype (Lappa type)
 Leaves and terminal branches Dimbulah, Queensland, Australia
NP Content: 1.2 %
References
1 Acacia nuperrima ssp. cassitera, A New Source of Kessane