Structure Information
Structure

Compound Identification

SMILES

CCCCOC(=O)C1=C(O)C(Cl)=CC(=C1)C(=CCC[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)CCCC(C)C)[C@@]4(C)CC[C@H]23)C1)C1=CC(C(=O)OCCCC)=C(O)C(Cl)=C1

InChIKey

InChIKey=CYHTWWFBKGOIME-GHGUNXIXSA-N

Formula

C53H76Cl2O6

Mass

880.09

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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 - O-hydroxybenzoic acid ester - Benzoate ester - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - 2-halophenol - 2-chlorophenol - Benzoyl - Styrene - Chlorobenzene - Phenol - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Vinylogous acid - Carboxylic acid ester - 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 cholestane steroids. These are steroids with a structure containing the 27-carbon cholestane skeleton.

External Descriptors

Not available

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