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Structure Information
Structure

Compound Identification

SMILES

CC(C)CCCC(C)[C@H]1CCC2C3C[C@@H](CCC=C(C4=CC(C(O)=O)=C(O)C(Cl)=C4)C4=CC(C(O)=O)=C(O)C(Cl)=C4)[C@H]4CCCC[C@]4(C)C3CC[C@]12C

InChIKey

InChIKey=VSMBDWQSHPCRII-FSYUMWPESA-N

Formula

C45H60Cl2O6

Mass

767.87

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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 - 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 - 2-halophenol - Styrene - 2-chlorophenol - Benzoyl - Halobenzene - Phenol - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - 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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