Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H](CCCC(C)C)[C@H]1CCC2C3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C

InChIKey

InChIKey=LTTLIRHGLXHJJP-BWARMTIOSA-N

Formula

C28H44O3

Mass

428.657

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Bile acids, alcohols and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Cholesterol-skeleton - Cholestane-skeleton - Bile acid, alcohol, or derivatives - 3-oxo-delta-1-steroid - 3-oxosteroid - 3-oxo-5-alpha-steroid - Oxosteroid - Delta-1-steroid - Cyclohexenone - Methyl ester - Cyclic ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid.

External Descriptors

Not available

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