Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=C(C=C1Cl)C(=CCCCCN[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)=O)=C(OC)C(Cl)=C1)C(O)=O

InChIKey

InChIKey=SAXFAOGEFYGIEQ-JHLXFESNSA-N

Formula

C49H69Cl2NO6

Mass

838.99

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