Structure Information
Structure

Compound Identification

SMILES

COC1C(O)C(O)COC1OC1C(OCC(C)C(C)C=CC(C)C2CC(O)C3C2(C)CCC2C4(C)CCC(O)CC4C(O)CC32O)OCC(O)C1OS(O)(=O)=O

InChIKey

InChIKey=YPOMRMXJCHZQEA-UHFFFAOYSA-N

Formula

C39H66O16S

Mass

823.0

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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 - 3-hydroxysteroid - 6-hydroxysteroid - 15-hydroxysteroid - Hydroxysteroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Oxane - Cyclic alcohol - Tertiary alcohol - Organic sulfuric acid or derivatives - Secondary alcohol - Acetal - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Polyol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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