Details of Natural Product (NP)

General Information of Natural Product (ID: NP0613)
  Natural Product Name
Isobutyl Tiglate
  Synonyms
Isobutyl tiglate; 61692-84-0; Tiglic Acid Isobutyl Ester; (E)-Isobutyl 2-methylbut-2-enoate; 2-methylpropyl (E)-2-methylbut-2-enoate; 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (2E)-; Isobutyl 2-methylcrotonate; EINECS 262-908-5; ISOBUTYLTIGLATE; AI3-33797; Isobutyl tiglate, >=98%; SCHEMBL873047; SCHEMBL1473218; 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (E)-; DTXSID90886456; ZINC2566028; MFCD00016629; AKOS025295545; T1274; Q63395789
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  Formula C9H16O2
  Weight 156.22
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5+
  InChI Key XDEGQMQKHFPBEW-VMPITWQZSA-N
  Isomeric SMILES C/C=C(\\C)/C(=O)OCC(C)C
  Canonical SMILES CC=C(C)C(=O)OCC(C)C
  External Links PubChem ID 5367806
CAS ID 61692-84-0

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Chamaemelum nobile
  Factor Name: Locality Variation [1]
              Species Info Factor Info
               Experiment Detail
Two different Roman chamomile oils were obtained from Giardino Officinale in Casola Valsenio (RA - Italy). One oil was distilled from chamomile plants grown in the Emilia-Romagna region (E), and the other one came from the Piemonte region (P) in Northern Italy
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               Factor Function
No significant differences were found in the composition of the two oils which were characterized by a high content of isobutyl angelate (36.3-38.5%), 2-methylbutyl angelate (18.2-20.3%) and other angelate esters.
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               Factor Part Location NP Content
 
Locality: Emilia-Romagna region, Italy
 Whole plant Italy
NP Content: 0.3 %
 
Locality: Piemonte region, Italy
 Whole plant Italy
NP Content: 0.4 %
References
1 Study on Roman Chamomile (Chamaemelum nobile L. All.) Oil