Structure Information
Structure

Compound Identification

SMILES

CCCC(=O)O[C@H]1[C@H]2[C@@H]3C\C(C)=C/CC(OC(=O)CCC)[C@]4(C)OC[C@H](C)[C@H](C[C@H]1C)[C@@H]2[C@@H]4O3

InChIKey

InChIKey=CCQWAVHYCCPOEQ-CCRBKCMOSA-N

Formula

C28H44O6

Mass

476.654

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Oxepanes

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Oxepanes

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Fatty acid ester - Oxepane - Dicarboxylic acid or derivatives - Fatty acyl - Oxolane - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.

External Descriptors

LIPIDMAPS (LMPR0104210004) : Eunicellane and asbestinane diterpenoids

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