Structure Information
Structure

Compound Identification

SMILES

N.COC1=C(C=C(C=C1Cl)C(=CCNC(=O)C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](CC(=O)NCC=C(C5=CC(C(O)=O)=C(OC)C(Cl)=C5)C5=CC(C(O)=O)=C(OC)C(Cl)=C5)CC[C@]4(C)[C@H]3CC[C@]12C)C1=CC(C(O)=O)=C(OC)C(Cl)=C1)C(O)=O

InChIKey

InChIKey=MLAAGGDZANJBKN-RXFRDPLASA-N

Formula

C61H69Cl4N3O14

Mass

1210.03

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Pregnane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Pregnane steroids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Pregnane-skeleton - Diphenylmethane - Tetracarboxylic acid or derivatives - O-methoxybenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Anisole - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as pregnane steroids. These are steroids with a structure based on the 21-carbon pregnane skeleton.

External Descriptors

Not available

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