7-METHYL-MERCAPTO-DECA-CIS-2-CIS-6-CIS-DIEN-4-8-DIYNE-METHYL ESTER

Structure

2D structure of 7-METHYL-MERCAPTO-DECA-CIS-2-CIS-6-CIS-DIEN-4-8-DIYNE-METHYL ESTER
2D structure
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3D model

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

Names and identifiers

Name

7-METHYL-MERCAPTO-DECA-CIS-2-CIS-6-CIS-DIEN-4-8-DIYNE-METHYL ESTER

IUPAC name

methyl (2Z,6Z,13Z)-7-(((E)-4-methoxy-4-oxobut-2-en-1-yl)thio)-14-(methylthio)heptadeca-2,6,13-trien-4,8,11,15-tetraynoate

SMILES

CC#CC(=CC#CCC#C\C(=C(\C#C\C(=C(/C(=O)OC)[H])[H])[H])SCC=CC(=O)OC)SC

General information

Molecular formula

C24H22O4S2

Molecular weight

438.57 g/mol

Monoisotopic mass

438.0960 Da

Classification

Pathway:
Superclass:
-
Class:
-
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Cota tinctoria (L.) J.Gay subsp. australis (R.Fern.) Oberpr. & Greuter root -
Bohlmann, F., Kleine, K.M. (1966). Polyacetylene compounds. cvi. several new polyacetylene compounds from the genus Anthemis L. Chem Ber, 99, 2096-2103