Details of Natural Product (NP)

General Information of Natural Product (ID: NP0704)
  Natural Product Name
Citronellyl Tiglate
  Synonyms
Citronellyl tiglate; 24717-85-9; Citronellyl trans-2-methyl-2-butenoate; 3,7-Dimethyl-6-octenyl 2-methylcrotonate; 3,7-dimethyloct-6-en-1-yl (2E)-2-methylbut-2-enoate; Citronellyltiglate; E-Citronellyl tiglate; Citronellol tiglate; EINECS 246-426-2; (E)-citronellyl tiglate; 3,7-dimethyloct-6-enyl (E)-2-methylbut-2-enoate; SCHEMBL873826; 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octen-1-yl ester, (2E)-; DTXSID3051911; SCHEMBL16356747; LMFA07010821; AKOS025294991; (2E)-citronellyl 2-methylbut-2-enoate; Citronellyl 2-methylbut-2-enoate, (2E)-; (E)-3,7-dimethyloct-6-enyl 2-methylbut-2-enoate; 3,7-Dimethyl-6-octenyl (2Z)-2-methyl-2-butenoate; W-107286; Q27292256
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  Formula C15H26O2
  Weight 238.37
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3/b14-6+
  InChI Key UCFQYMKLDPWFHZ-MKMNVTDBSA-N
  Isomeric SMILES C/C=C(\\C)/C(=O)OCCC(C)CCC=C(C)C
  Canonical SMILES CC=C(C)C(=O)OCCC(C)CCC=C(C)C
  External Links PubChem ID 6386037
CAS ID 24717-85-9

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Helichrysum arenarium
  Factor Name: Locality Variation; Developmental Stage Variation [1]
              Species Info Factor Info
               Experiment Detail
The plant material was collected in eastern Lithuania (July-August, 2002). Numbers of growing localities of H. arenarium with yellow (Y) and orange (O) flowers were as follows: Svencionys district (Zalavas) and Ukmerge district (Sventupe).
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               Factor Function
The 68 constituents identified comprised 73.8-90.7% of the total oil content. It was found that the principal constituents were: beta-caryophyllene (in three inflorescence and one leaf oil), delta-cadinene (in two leaf oils), octadecane (in one leaf oil) and heneicosane (in one inflorescence sample). Monoterpenes and oxygenated monoterpenes made up 4.0-13.9%, aliphatic hydrocarbons 0.4-35.3%, and sesquiterpenes 24.7-71.2% of the oils.
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               Factor Part Location NP Content
 
Inflorescence: (Flower colour: Orange) + (Locality: Svencionys District, Eastern Lithuania)
 Inflorescence Eastern Lithuania
NP Content: 4.1 %
 
Inflorescence: (Flower colour: Orange) + (Locality: Ukmerge District, Eastern Lithuania)
 Inflorescence Eastern Lithuania
NP Content: 1.3 %
 
Inflorescence: (Flower colour: Yellow) + (Locality: Ukmerge District, Eastern Lithuania)
 Inflorescence Eastern Lithuania
NP Content: 2 %
 
Leaf: (Flower colour: Orange) + (Locality: Svencionys District, Eastern Lithuania)
 Leaves Eastern Lithuania
NP Content: 0.4 %
 
Leaf: (Flower colour: Yellow) + (Locality: Ukmerge District, Eastern Lithuania)
 Leaves Eastern Lithuania
NP Content: 0.2 %
 
Leaf: (Flower colour: Orange) + (Locality: Ukmerge District, Eastern Lithuania)
 Leaves Eastern Lithuania
NP Content: 0.3 %
References
1 Chemical Composition of the Essential Oils of Wild Helichrysum arenarium (L.) with Differently Colored Inflorescences from Eastern Lithuania