Structure Information
Structure

Compound Identification

SMILES

CCCCOCC(O)COC1=C(C)C=C(C=C1)C1C(=O)OC2=C1C=C(C=C2)C1CCCCC1

InChIKey

InChIKey=URYMWPYBTGZWHF-UHFFFAOYSA-N

Formula

C28H36O5

Mass

452.591

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Coumarans

Subclass

1-phenylcoumarans

Intermediate Tree Nodes

Not available

Direct Parent

1-phenylcoumarans

Alternative Parents

Benzofurans Phenoxy compounds Phenol ethers Toluenes Glycerol ethers Alkyl aryl ethers Secondary alcohols Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-phenylcoumaran - Benzofuran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Glycerol ether - Toluene - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Secondary alcohol - Lactone - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-phenylcoumarans. These are compounds containing a coumaran ring system substituted at the 1-position with phenyl group.

External Descriptors

Not available

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