Structure Information
Structure

Compound Identification

SMILES

COC(=O)CCC(C)[C@H]1CCC2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3=C(NC(=O)C(C)(C)C)C(=O)[C@]12C)OC(=O)C1=CC=CC=C1

InChIKey

InChIKey=OONLKWWDTYPHEA-HFLAGSFCSA-N

Formula

C37H51NO6

Mass

605.816

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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

Aromatic homopolycyclic compounds

Substituents

Bile acid, alcohol, or derivatives - Oxosteroid - 12-oxosteroid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Cyclohexenone - Fatty acid methyl ester - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic 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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