Structure Information
Structure

Compound Identification

SMILES

CC(COS(=O)(=O)C1=CC=C(C)C=C1)C1CCC2C3CC=C4CC(Cl)CCC4(C)C3CCC12C

InChIKey

InChIKey=FFHMXOMWAMEYOT-UHFFFAOYSA-N

Formula

C29H41ClO3S

Mass

505.15

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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

Aromatic homopolycyclic compounds

Substituents

Bile acid, alcohol, or derivatives - 3-halo-steroid - Halo-steroid - Delta-5-steroid - Benzenesulfonate ester - P-methylbenzenesulfonate - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Benzenoid - Organosulfonic acid ester - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl chloride - Organochloride - Organooxygen compound - Organosulfur compound - Aromatic homopolycyclic 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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