Structure Information
Structure

Compound Identification

SMILES

CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](OC(C)=O)[C@H]4C[C@H](CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C)OC(C)=O

InChIKey

InChIKey=XHSMRLQJHSJCMY-IQGUQIHSSA-N

Formula

C31H50O6

Mass

518.735

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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

Cholesterol - Cholestane-skeleton - Dihydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - Steroid ester - 11-hydroxysteroid - 11-alpha-hydroxysteroid - Hydroxysteroid - Delta-7-steroid - Dicarboxylic acid or derivatives - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxide - 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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