PINIFOLIC ACID 18-MONOMETHYL ESTER

Structure

2D structure of PINIFOLIC ACID 18-MONOMETHYL ESTER
2D structure
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3D model

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

Names and identifiers

Name

PINIFOLIC ACID 18-MONOMETHYL ESTER

IUPAC name

(1R,4aR,5S,8aR)-5-((S)-5-methoxy-3-methyl-5-oxopentyl)-1,4a-dimethyl-6-methylenedecahydronaphthalene-1-carboxylic acid

SMILES

C[C@@H](CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@@]2(C)C(=O)O)C)CC(=O)OC

General information

Molecular formula

C21H34O4

Molecular weight

350.50 g/mol

Monoisotopic mass

350.2457 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Pinus nigra J.F.Arnold subsp. nigra leaf -
Zinkel, D.F., Magee, T.V., Walter, J. (1985). Major resin acids of Pinus nigra needles. Phytochemistry, 24(6), 1273-1277 doi:10.1016/s0031-9422(00)81114-0