TRANS-TRANS-NEPETONIC-ACID-METHYL-ESTER

Structure

2D structure of TRANS-TRANS-NEPETONIC-ACID-METHYL-ESTER
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 6428311

Names and identifiers

Name

TRANS-TRANS-NEPETONIC-ACID-METHYL-ESTER

IUPAC name

methyl (1R,2R,5R)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate

SMILES

C[C@@H]1CC[C@@H]([C@@H]1C(=O)OC)C(C)C=O

General information

Molecular formula

C11H18O3

Molecular weight

198.26 g/mol

Monoisotopic mass

198.1256 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Nepeta cataria L. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.