Structure Information
Structure

Compound Identification

SMILES

C[C@]12CCC3C(C1CCC2=O)[C@H](O)C=C1C[C@H](CC[C@]31C)OC(=O)C1=CC(Cl)=CC=C1

InChIKey

InChIKey=XDTNFXSLWJOKFG-XPUDJKGZSA-N

Formula

C26H31ClO4

Mass

442.98

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Androstane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Androstane steroids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Androstane-skeleton - Hydroxysteroid - 17-oxosteroid - 7-hydroxysteroid - Oxosteroid - Delta-5-steroid - Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Secondary alcohol - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Alcohol - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as androstane steroids. These are steroids with a structure based on the 19-carbon androstane skeleton.

External Descriptors

Not available

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