Structure Information
Structure

Compound Identification

SMILES

CO[C@@H]1CO[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H]2OC[C@@H](\C=C\[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](C[C@@]32O)OS(O)(=O)=O)C(C)C)[C@H](OC)[C@H]1O

InChIKey

InChIKey=FGCJVPROALYRCQ-GKVURJMHSA-N

Formula

C40H68O17S

Mass

853.03

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Ergostane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Ergosterols and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Ergosterol-skeleton - Steroidal glycoside - Sulfated steroid skeleton - 3-hydroxysteroid - Hydroxysteroid - 15-hydroxysteroid - 4-hydroxysteroid - 3-beta-hydroxysteroid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Disaccharide - Sulfate-ester - Sulfuric acid monoester - Sulfuric acid ester - Fatty acyl - Oxane - Alkyl sulfate - Cyclic alcohol - Tetrahydrofuran - Tertiary alcohol - Organic sulfuric acid or derivatives - Secondary alcohol - Acetal - Organoheterocyclic compound - Ether - Oxacycle - Dialkyl ether - Polyol - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Primary alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton.

External Descriptors

Not available

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