Details of Natural Product (NP)

General Information of Natural Product (ID: NP1116)
  Natural Product Name
Octyl Butyrate
  Synonyms
Octyl butyrate; Octyl butanoate; 110-39-4; BUTANOIC ACID, OCTYL ESTER; n-Octyl butyrate; Butyric acid, octyl ester; n-Octyl n-butyrate; n-Octyl butanoate; UNII-5YEU4O369L; Butyric Acid Octyl Ester; 5YEU4O369L; Butyric acid, octyl ester (8CI); WE(8:0/4:0); Butanoic acid, octylester; Octyl butyrate (natural); FEMA No. 2807; Caprylyl Butyrate; EINECS 203-762-4; NSC 72032; AI3-24204; butanoic acid octyl ester; SCHEMBL332746; Octyl butyrate, >=98%, FG; CHEMBL4634201; DTXSID9059387; CHEBI:89726; FEMA 2807; NSC72032; ZINC1697409; 6041AF; LMFA07010420; MFCD00048939; NSC-72032; AKOS015914017; Octyl butyrate, natural (US), >=95%; AS-56577; CS-0335387; D95731; A894906; Q27161916
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  Formula C12H24O2
  Weight 200.32
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3
  InChI Key PWLNAUNEAKQYLH-UHFFFAOYSA-N
  Isomeric SMILES CCCCCCCCOC(=O)CCC
  Canonical SMILES CCCCCCCCOC(=O)CCC
  External Links PubChem ID 61030
CAS ID 110-39-4
CHEMBL ID CHEMBL4634201
  NP Activity Charts   Click to show/hide
  Activity Info  

 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: 1.4 %
References
1 Acacia nuperrima ssp. cassitera, A New Source of Kessane