Structure Information
Structure

Compound Identification

SMILES

CC(C)CC[C@@H](O)[C@@](C)(O)[C@@H]1CCC2C3=CC(=O)C4=C[C@@H](O)[C@H](O)C[C@@]4(C)C3CC[C@@]12C

InChIKey

InChIKey=NBEQHHTVOOYUFN-BBGALCIHSA-N

Formula

C27H42O5

Mass

446.628

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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

Tetrahydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Cholesterol-skeleton - Cholestane-skeleton - Tetrahydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - 20-hydroxysteroid - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 6-oxosteroid - 3-beta-hydroxysteroid - 2-hydroxysteroid - Oxosteroid - Hydroxysteroid - Delta-7-steroid - Cyclohexenone - Tertiary alcohol - Secondary alcohol - Ketone - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as tetrahydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups.

External Descriptors

Not available

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