Structure Information
Structure

Compound Identification

SMILES

CC(C)CCC(O)[C@](C)(O)C1CCC2C3=CC(OC(C)=O)C4[C@@H](OC(C)=O)[C@@H](O)CC[C@]4(C)C3CC[C@]12C

InChIKey

InChIKey=QMQNFJMSMKJMCR-WTBYQRSKSA-N

Formula

C31H50O7

Mass

534.734

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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

Trihydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Cholesterol - Cholesterol-skeleton - Cholestane-skeleton - Trihydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - 20-hydroxysteroid - Steroid ester - 3-hydroxysteroid - Oxosteroid - 16-oxosteroid - 3-beta-hydroxysteroid - Hydroxysteroid - 3-hydroxy-delta-7-steroid - Delta-7-steroid - Dicarboxylic acid or derivatives - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Aliphatic homopolycyclic compound

Description

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

External Descriptors

Not available

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