Structure Information
Structure

Compound Identification

SMILES

C\C1=C/CC[C@](O)(CO)[C@@H](O)C[C@H]2[C@@H](OC(=O)C2=C)[C@@H](O)\C(C)=C\CC1

InChIKey

InChIKey=OZILXJUBBKPMRE-HAUURUDMSA-N

Formula

C20H30O6

Mass

366.454

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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 - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - 1,2-diol - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Primary alcohol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Carbonyl group - 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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