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Structure Information
Structure

Compound Identification

SMILES

C[C@H](CCC(=C)C(C)C(O)=O)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@@H]3O

InChIKey

InChIKey=TWISSXUWVGIUBP-FNSKOMQISA-N

Formula

C29H42O5

Mass

470.65

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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

Aliphatic homopolycyclic compounds

Substituents

Ergosterol-skeleton - Ergostane-skeleton - Monohydroxy bile acid, alcohol, or derivatives - Steroid acid - 3-oxosteroid - 11-oxosteroid - Oxosteroid - 7-alpha-hydroxysteroid - Hydroxysteroid - 3-oxo-5-alpha-steroid - 7-hydroxysteroid - Medium-chain fatty acid - Cyclohexenone - Hydroxy fatty acid - Unsaturated fatty acid - Fatty acyl - Fatty acid - Cyclic ketone - Ketone - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Aliphatic 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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