Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=DALYRJOVRHVELZ-YCQJSWIASA-N

Formula

C44H57Cl2NO7

Mass

782.84

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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

Aromatic homopolycyclic compounds

Substituents

Cholestane-skeleton - Pregnane-type alkaloid - Steroidal alkaloid - Azasteroid - Diphenylmethane - Cinnamic acid amide - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Hydroxybenzoic acid - Salicylic acid - Salicylic acid or derivatives - Alkaloid or derivatives - Benzoic acid or derivatives - Benzoic acid - Styrene - 2-halophenol - 2-chlorophenol - Benzoyl - Chlorobenzene - Halobenzene - Phenol - Benzenoid - Dicarboxylic acid or derivatives - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homopolycyclic 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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