Structure Information
Structure

Compound Identification

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4OC[C@@]5(CC[C@@H](C[C@]45Br)OC(C)=O)[C@H]3CC[C@]12C

InChIKey

InChIKey=YEACHZHDRMYMDK-FFUGCRHMSA-N

Formula

C29H47BrO3

Mass

523.596

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Cholestane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Cholestane steroids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Cholestane-skeleton - Steroid ester - 5-halo-steroid - Halo-steroid - Oxepane - Tetrahydrofuran - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cholestane steroids. These are steroids with a structure containing the 27-carbon cholestane skeleton.

External Descriptors

Not available

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