Structure Information
Structure

Compound Identification

SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C(=O)[C@@H](O)[C@]23C)O[C@@]11OC[C@H](C)CC1Br

InChIKey

InChIKey=MJCUKEIDOQBABA-MWBOUICKSA-N

Formula

C27H41BrO5

Mass

525.524

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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 heteropolycyclic compounds

Substituents

Triterpenoid - Spirostane skeleton - Dihydroxy bile acid, alcohol, or derivatives - 3-beta-hydroxysteroid - Oxosteroid - 11-oxosteroid - Hydroxysteroid - 12-hydroxysteroid - 3-hydroxysteroid - Ketal - Oxane - Acyloin - Tetrahydrofuran - Cyclic alcohol - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Alcohol - Aliphatic heteropolycyclic 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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