Structure Information
Structure

Compound Identification

SMILES

CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@H]4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5)OC(=O)C1=CC=CC=C1

InChIKey

InChIKey=MHUUWIIPVGOCLR-ZEKXNFNHSA-N

Formula

C36H54O5

Mass

566.823

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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 heteropolycyclic compounds

Substituents

24-hydroxysteroid - Monohydroxy bile acid, alcohol, or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Ketal - Monocyclic benzene moiety - Benzenoid - Meta-dioxolane - Secondary alcohol - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic 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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