Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)C3=C[C@H](O)[C@]12C)OC(=O)C1=CC=CC=C1

InChIKey

InChIKey=KAUSOXBWUTVQHI-XAQPMWJTSA-N

Formula

C32H44O5

Mass

508.699

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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

Hydroxy bile acids, alcohols and derivatives

Direct Parent

Monohydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Monohydroxy bile acid, alcohol, or derivatives - 12-hydroxysteroid - Hydroxysteroid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Fatty acid methyl ester - Fatty acid ester - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Methyl ester - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carbonyl group - Alcohol - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group.

External Descriptors

Not available

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