Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(OC)C(Cl)=CC(=C1)C(=CCCC1CC[C@@]2(C)C(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)OC)=C(OC)C(Cl)=C1

InChIKey

InChIKey=OKVUEISQBAMYCI-KBKJNBNYSA-N

Formula

C49H68Cl2O6

Mass

823.98

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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-methoxybenzoic acid or derivatives - Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Methoxybenzene - Benzoyl - Phenoxy compound - Phenol ether - Styrene - Anisole - Halobenzene - Chlorobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - 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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