Structure Information
Structure

Compound Identification

SMILES

OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.COC1=CC2=C(OCC3=CC=CC=C3C22OCC(CN3CCCC3)O2)C=C1

InChIKey

InChIKey=WGHKWRFKYWYDMT-UHFFFAOYSA-K

Formula

C28H30NO11

Mass

556.546

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxepines

Subclass

Dibenzoxepines

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzoxepines

Alternative Parents

Tricarboxylic acids and derivatives Anisoles Alkyl aryl ethers Ketals N-alkylpyrrolidines Tertiary alcohols 1,3-dioxolanes Trialkylamines Carboxylic acid salts Oxacyclic compounds Azacyclic compounds Carboxylic acids Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions

Molecular Framework

Not available

Substituents

Dibenzoxepine - Tricarboxylic acid or derivatives - Anisole - Alkyl aryl ether - Ketal - N-alkylpyrrolidine - Benzenoid - Meta-dioxolane - Pyrrolidine - Tertiary alcohol - Carboxylic acid salt - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Acetal - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alcohol - Organic oxide - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.

External Descriptors

Not available

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