Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H](C)[C@H]1CC[C@](C)(CC[C@@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CCCC3=C)OO1

InChIKey

InChIKey=XZMSFDWECPXXRJ-KYABTRMWSA-N

Formula

C25H42O4

Mass

406.607

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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 - Ortho-dioxane - Methyl ester - Dialkyl peroxide - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - 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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