THYMOL,7-ISO-BUTYROYL: METHYL ETHER

Structure

2D structure of THYMOL,7-ISO-BUTYROYL: METHYL ETHER
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 91751362

Names and identifiers

Name

THYMOL,7-ISO-BUTYROYL: METHYL ETHER

IUPAC name

4-isopropyl-3-methoxybenzyl isobutyrate

SMILES

C(C1=CC(=C(C=C1)C(C)C)OC)OC(C(C)C)=O

General information

Molecular formula

C15H22O3

Molecular weight

250.34 g/mol

Monoisotopic mass

250.1569 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Pentanema salicinum (L.) D.Gut.Larr., Santos-Vicente, Anderb., E.Rico & M.M.Mart.Ort. root -
Anthonsen, T., Kjoesen, B. (1971). New thymol derivatives from Inula salicina. Acta Chem Scand, 25, 390 doi:10.3891/acta.chem.scand.25-0390
Pulicaria dysenterica (L.) Bernh. aerial parts -
Marco, A.J., Sanz, J.F., Albiach, R. (1992). Caryophyllene derivatives from Pulicaria dysenterica. Phytochemistry, 31(7), 2409-2413 doi:10.1016/0031-9422(92)83288-a