Structure Information
Structure

Compound Identification

SMILES

CO[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@H]2O[C@@H](CC[C@@H](C)[C@H]2C[C@@H](O)[C@@H]3[C@]2(C)CC[C@@H]2[C@@]4(C)CC[C@H](O)[C@H](O)[C@@H]4[C@@H](O)[C@@H](O)[C@@]32O)C(C)C)[C@@H](C)OS(O)(=O)=O)[C@H](OC)[C@H]1O

InChIKey

InChIKey=OZYMBUAWCHFDNC-OVVWXIQHSA-N

Formula

C41H72O18S

Mass

885.07

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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

Pentahydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Pentahydroxy bile acid, alcohol, or derivatives - Steroidal glycoside - 3-hydroxysteroid - 4-hydroxysteroid - 6-hydroxysteroid - 15-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxysteroid - 7-hydroxysteroid - Disaccharide sulfate - Disaccharide - Glycosyl compound - O-glycosyl compound - Sulfuric acid monoester - Sulfate-ester - Oxane - Sulfuric acid ester - Alkyl sulfate - Tetrahydrofuran - Tertiary alcohol - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Polyol - Organoheterocyclic compound - Dialkyl ether - Ether - Oxacycle - Acetal - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pentahydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing five hydroxyl groups.

External Descriptors

Not available

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