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Structure Information
Structure

Compound Identification

SMILES

COC(=O)CCC1C2(C)CCC3(C)C4CC(C)(C)CCC4(C)CCC3(C)C2CCC1(C)C(C)=O

InChIKey

InChIKey=DGXAVHZYUWXIIE-UHFFFAOYSA-N

Formula

C31H52O3

Mass

472.754

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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 - 18-oxosteroid - 17-oxosteroid - Oxosteroid - Steroid - Fatty acid ester - Fatty acyl - Methyl ester - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - 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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