Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]12C)OC(=O)C1=CC=C(OC)C=C1)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChIKey

InChIKey=BXXSWLQPFHZERA-GPYFGYTKSA-N

Formula

C45H68O17

Mass

881.022

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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 heteropolycyclic compounds

Substituents

Bile acid, alcohol, or derivatives - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Hexose monosaccharide - O-glycosyl compound - P-methoxybenzoic acid or derivatives - Glycosyl compound - Benzoate ester - Benzoic acid or derivatives - Methoxybenzene - Phenoxy compound - Anisole - Phenol ether - Benzoyl - Fatty acid ester - Fatty acid methyl ester - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Monosaccharide - Oxane - Methyl ester - Carboxylic acid ester - Secondary alcohol - Acetal - Ether - Polyol - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Primary alcohol - Organic oxygen compound - Organic oxide - Aromatic 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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