Structure Information
Structure

Compound Identification

SMILES

CCCC(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC(=C)C=C)[C@H]2C[C@H](O)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@]123

InChIKey

InChIKey=QHGNGASMDFLMTJ-FZPMFBTGSA-N

Formula

C28H40O8

Mass

504.62

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Diterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Colensane and clerodane diterpenoids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Clerodane diterpenoid - Naphthofuran - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Tetrahydrofuran - Carboxylic acid ester - Secondary alcohol - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations.

External Descriptors

Not available

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