Structure Information
Structure

Compound Identification

SMILES

C[13CH](C[13CH3])\C=[13CH]\C=[13C](/C)C[13CH](C)\C=[13CH]\C=[13CH]\C1OC(=O)[13CH](O)C2O[13C]12C

InChIKey

InChIKey=NMEGHQQRWKBPQO-YHDKVYIHSA-N

Formula

C22H32O4

Mass

369.425

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Dioxepanes

Subclass

1,4-dioxepanes

Intermediate Tree Nodes

Not available

Direct Parent

1,4-dioxepanes

Alternative Parents

Delta valerolactones Oxanes Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

1,4-dioxepane - Delta valerolactone - Delta_valerolactone - Oxane - Carboxylic acid ester - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,4-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 4, respectively.

External Descriptors

Not available

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