Structure Information
Structure

Compound Identification

SMILES

CSC(=O)CC(=O)OC(CC1(C)OC1(C)C)C(C)C1CCC2C3C(O)CC4=CC(=O)C=CC4(C)C3CCC12C

InChIKey

InChIKey=ZTHHPKJCQKRAOJ-UHFFFAOYSA-N

Formula

C32H46O6S

Mass

558.77

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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

Hydroxy bile acids, alcohols and derivatives

Direct Parent

Monohydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Cholesterol-skeleton - Cholestane-skeleton - Monohydroxy bile acid, alcohol, or derivatives - Steroid ester - 3-oxo-delta-1,4-steroid - 3-oxosteroid - Oxosteroid - Hydroxysteroid - 7-hydroxysteroid - Delta-1,4-steroid - 1,3-dicarbonyl compound - Cyclic alcohol - Thiocarboxylic acid ester - Cyclic ketone - Carbothioic s-ester - Secondary alcohol - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Dialkyl ether - Oxirane - Ether - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group.

External Descriptors

Not available

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