Structure Information
Structure

Compound Identification

SMILES

C[C@H](CCC=C(C1=CC(C(O)=O)=C(O)C(Cl)=C1)C1=CC(C(O)=O)=C(O)C(Cl)=C1)[C@H]1CCC2C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C

InChIKey

InChIKey=MLJQDAQOLCARAK-OJUOBODWSA-N

Formula

C39H48Cl2O9

Mass

731.7

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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

Cholesterols and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Cholesterol - Cholesterol-skeleton - 3-hydroxysteroid - Hydroxysteroid - 12-hydroxysteroid - 7-hydroxysteroid - 3-alpha-hydroxysteroid - Diphenylmethane - Salicylic acid or derivatives - Salicylic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid - Hydroxybenzoic acid - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Styrene - 2-halophenol - 2-chlorophenol - Phenol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Vinylogous acid - Cyclic alcohol - Secondary alcohol - Polyol - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Alcohol - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.

External Descriptors

Not available

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