Structure Information
Structure

Compound Identification

SMILES

N.COC1=C(C=C(C=C1Cl)C(=CCN[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)C(Cl)=C1)C(O)=O

InChIKey

InChIKey=GOHSFZQCRLWTFZ-DYJJFLOWSA-N

Formula

C46H66Cl2N2O6

Mass

813.94

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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 - O-methoxybenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - Benzoic acid or derivatives - Benzoic acid - Alkaloid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Amino acid - Amino acid or derivatives - Ether - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organohalogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organochloride - 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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