BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

methyl jasmonate

Graphical representations:

methyl jasmonate image

Molecular Formula: C13 H20 O3

Natural Isotopic Abundance Mass: 224.2961

Mono-Isotopic Molecular Masses:

  • C12N14: 224.1412445083
  • C13N14: 237.1848573997
  • C12N15: 224.1412445083
  • C13N15: 237.1848573997

InCHi String: InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3

canonical and isomeric SMILES: CCC=CCC1C(CCC1=O)CC(=O)OC

PUBCHEM iupac NAME
methyl 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate

PUBCHEM iupac TRADITIONAL NAME
2-(3-keto-2-pent-2-enyl-cyclopentyl)acetic acid methyl ester

PUBCHEM iupac OPENEYE NAME
methyl 2-(3-oxo-2-pent-2-enyl-cyclopentyl)acetate

PUBCHEM iupac CAS NAME
2-(3-oxo-2-pent-2-enylcyclopentyl)acetic acid methyl ester

PUBCHEM iupac SYSTEMATIC NAME
methyl 2-(3-oxo-2-pent-2-enyl-cyclopentyl)ethanoate

PubChem Substance (SID):   85165331   24864478   4551186
PubChem Compound (CID):   62388
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 392707_ALDRICH   ChemSpider 56176   ChemDB 4259934   MMCD cq_08134   MDL MFCD00151382

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.