Details of Natural Product (NP)

General Information of Natural Product (ID: NP0609)
  Natural Product Name
Isobutyl Angelate
  Synonyms
Isobutyl angelate; Angelic Acid Isobutyl Ester; 7779-81-9; 2-Methylpropyl angelate; 2-methylpropyl (Z)-2-methylbut-2-enoate; iso-Butyl tiglate; UNII-7OR98SJS39; 7OR98SJS39; 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (2Z)-; 2-methylpropyl (2Z)-2-methylbut-2-enoate; Isobutyl 2-methylisocrotonate; Angelic acid, isobutyl ester; FEMA No. 2180; Isobutyl cis-2-methyl-2-butenoate; Isobutyl 2-methylcrotonoate, (Z)-; EINECS 231-941-7; 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (Z)-; 2-Methylpropyl 2-methyl-2-butenoate, (Z)-; Crotonic acid, 2-methyl-, isobutyl ester, (Z)-; SCHEMBL873046; Isobutyl 2-methyl-2-butenoate; FEMA 2180; DTXSID40884422; CHEBI:171755; ZINC5132507; Isobutyl (Z)-2-Methyl-2-butenoate; LMFA07010916; MFCD00063646; Isobutyl (2Z)-2-methyl-2-butenoate; AKOS025295741; 2-Methylisocrotonic Acid Isobutyl Ester; BS-23581; CS-0207485; (Z)-2-Methyl-2-butenoic Acid Isobutyl Ester; 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester; Q27268651; ETHYL(2Z)-[3-(2-BROMOETHYL)-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]ACETATE
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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-YVMONPNESA-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 5367807
CAS ID 7779-81-9

 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: 38.5 %
 
Locality: Piemonte region, Italy
 Whole plant Italy
NP Content: 36.3 %
References
1 Study on Roman Chamomile (Chamaemelum nobile L. All.) Oil