Structure Information
Structure

Compound Identification

SMILES

CC(C)[C@@H](CC[C@@H](C)[C@H]1CCC2C3C=CC4=CC(=O)[C@@H]5O[C@@H]5[C@]4(C)C3CC[C@]12C)OC(=O)CCl

InChIKey

InChIKey=XXAKALIOPYCHSH-NFRDVIHESA-N

Formula

C29H41ClO4

Mass

489.09

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Bile acids, alcohols and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Bile acid, alcohol, or derivatives - Steroid ester - 1,2-epoxy-3-oxo-steroid - 3-oxosteroid - Oxosteroid - Cyclohexenone - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Ketone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Alkyl chloride - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid.

External Descriptors

Not available

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