Structure Information
Structure

Compound Identification

SMILES

C\C(CC[C@@]1(C)[C@@H](CC[C@]2(C)[C@@H]1CCC=C2C)C(O)=O)=C/C=O

InChIKey

InChIKey=CCRJBYFBLSIAHK-NEFSCSKUSA-N

Formula

C20H30O3

Mass

318.457

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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 homopolycyclic compounds

Substituents

Clerodane diterpenoid - Enal - Alpha,beta-unsaturated aldehyde - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic homopolycyclic 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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