Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](CCC=C(C5=CC(C(O)=O)=C(O)C(Cl)=C5)C5=CC(C(O)=O)=C(O)C(Cl)=C5)CC[C@]34C)[C@@H]1CC[C@@H]2CCC=C(C1=CC(C(O)=O)=C(O)C(Cl)=C1)C1=CC(C(O)=O)=C(O)C(Cl)=C1

InChIKey

InChIKey=OAFFZBNOQCZTOU-WHMJPVFTSA-N

Formula

C55H56Cl4O12

Mass

1050.84

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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 - Diphenylmethane - Tetracarboxylic acid or derivatives - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid or derivatives - Benzoic acid - Styrene - 2-halophenol - Benzoyl - 2-chlorophenol - Chlorobenzene - Phenol - Halobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Vinylogous acid - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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