Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)OC)[C@@]4(C)C(O)C[C@H]23)C1

InChIKey

InChIKey=KIRFLCKWEBLZMD-LMJLMNSLSA-N

Formula

C28H46O7

Mass

494.669

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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

Dihydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Dihydroxy bile acid, alcohol, or derivatives - 7-hydroxysteroid - Hydroxysteroid - 12-hydroxysteroid - Fatty acid methyl ester - Fatty acid ester - Fatty acyl - Carbonic acid diester - Methyl ester - Cyclic alcohol - Secondary alcohol - Carbonic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.

External Descriptors

Not available

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