Structure Information
Structure

Compound Identification

SMILES

[Na].CCCC(=O)OC1=C(C=C(C=C1Cl)C(=CCC[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]23)C1)C1=CC(C(O)=O)=C(OC(=O)CCC)C(Cl)=C1)C(O)=O

InChIKey

InChIKey=XWBWMOIXXZIDJS-UEACHTBFSA-N

Formula

C53H72Cl2NaO8

Mass

931.04

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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 - Diphenylmethane - Acylsalicylic acid or derivatives - Acylsalicylic acid - Phenol ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - Benzoic acid - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Styrene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic oxide - 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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