Details of Natural Product (NP)

General Information of Natural Product (ID: NP1135)
  Natural Product Name
Butyl Hexanoate
  Synonyms
Butyl hexanoate; 626-82-4; Butyl caproate; Hexanoic acid, butyl ester; N-BUTYL HEXANOATE; Hexanoic Acid Butyl Ester; n-Caproic acid n-butyl ester; n-Butyl caproate; n-Butyl n-hexanoate; UNII-EBK588Q27T; Butyl ester of hexanoic acid; EBK588Q27T; WE(4:0/6:0); Butyl caproate (natural); NSC 4022; FEMA No. 2201; EINECS 210-964-6; BRN 1754426; butylhexanoat; AI3-06129; Hexanoic acid butyl; SCHEMBL48779; n-Caproic acid-n-butyl ester; Butyl hexanoate, >=98%, FG; DTXSID8060824; CHEBI:89561; FEMA 2201; NSC4022; NSC-4022; ZINC1672954; Butyl hexanoate, analytical standard; LMFA07010436; MFCD00053804; AKOS015904473; MCULE-7438606212; LS-13891; FT-0688097; H0107; A868399; Q3135039; Butyl hexanoate, United States Pharmacopeia (USP) Reference Standard; Butyl Hexanoate; n-Caproic acid n-butyl ester; n-Hexanoic acid n-butyl ester
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  Formula C10H20O2
  Weight 172.26
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3
  InChI Key RPRPDTXKGSIXMD-UHFFFAOYSA-N
  Isomeric SMILES CCCCCC(=O)OCCCC
  Canonical SMILES CCCCCC(=O)OCCCC
  External Links PubChem ID 12294
CAS ID 626-82-4

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Maclura pomifera
  Factor Name: Developmental Stage Variation [1]
              Species Info Factor Info
               Experiment Detail
Unripe fruits of M. pomifera were collected on the tree from a hedge in August 1999 located on state-owned land in Boone County, IA. Ripe fruits were collected from the ground at the same hedge in October 1999.
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               Factor Function
The most notable difference between the unripe and ripe fruits was the increase in hexyl hexanoate in the ripe fruit. Gamma-Cadinene and alpha-cubebene were the most abundant sesquiterpenoids.
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               Factor Part Location NP Content
 
Fruit: unripe (cut)
 Fruits Boone county, USA
NP Content: 1.1 %
 
Fruit: ripe
 Fruits Boone county, USA
NP Content: 8 %
References
1 Identification of Components of Osage Orange Fruit (Maclura pomifera) and Their Repellency to German Cockroaches