Details of Natural Product (NP)

General Information of Natural Product (ID: NP1117)
  Natural Product Name
Octyl Hexanoate
  Synonyms
Octyl hexanoate; 4887-30-3; n-OCTYL CAPROATE; Hexanoic acid, octyl ester; UNII-19B54293W4; 19B54293W4; WE(8:0/6:0); OCTYL CAPROATE; Hexanoate octyle; n-octyl hexanoate; Octyl hexanoate #; EINECS 225-499-4; AI3-06038; hexanoic acid octyl ester; Hexanoic acid, octylester; SCHEMBL333399; DTXSID40197620; CHEBI:179787; NSC53816; ZINC1684760; LMFA07010439; NSC 53816; NSC-53816; DS-002627; Q27252089
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  Formula C14H28O2
  Weight 228.37
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C14H28O2/c1-3-5-7-8-9-11-13-16-14(15)12-10-6-4-2/h3-13H2,1-2H3
  InChI Key CMNMHJVRZHGAAK-UHFFFAOYSA-N
  Isomeric SMILES CCCCCCCCOC(=O)CCCCC
  Canonical SMILES CCCCCCCCOC(=O)CCCCC
  External Links PubChem ID 21006
CAS ID 4887-30-3

 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: 0.8 %
References
1 Acacia nuperrima ssp. cassitera, A New Source of Kessane