TRANS-DICYCLOETHER

Structure

2D structure of TRANS-DICYCLOETHER
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5352496

Names and identifiers

Name

TRANS-DICYCLOETHER

IUPAC name

(E)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene

SMILES

CC#CC#C\C=C1/C=CC2(O1)CCCO2

General information

Molecular formula

C13H12O2

Molecular weight

200.24 g/mol

Monoisotopic mass

200.0837 Da

Classification

Pathway:
Superclass:
Class:
-
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Matricaria chamomilla L. flower, essential oil -
Reverchon, E., Senatore, F. (1994). Supercritical carbon dioxide extraction of chamomile essential oil and its analysis by gas chromatography-mass spectrometry. J Agr Food Chem, 42(1), 154-158 doi:10.1021/jf00037a027