Structure Information
Structure

Compound Identification

SMILES

COC[C@@H]1[C@H]2CC\C(C)=C\CC(=O)\C(C)=C\CC\C(C)=C\[C@@H]2OC1=O

InChIKey

InChIKey=FCUMVZZBLPMWHA-DIXBMPOXSA-N

Formula

C21H30O4

Mass

346.467

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Terpene lactones

Intermediate Tree Nodes

Diterpene lactones

Direct Parent

Cembranolides

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Cembranolide-skeleton - Cembrane diterpenoid - Diterpenoid - Gamma butyrolactone - Oxolane - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Carboxylic acid derivative - Oxacycle - Ether - Dialkyl ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cembranolides. These are diterpenoids with a structure based on a cembrane skeleton fused to a lactone ring (5- or 6-membered).

External Descriptors

Not available

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