Structure Information
Structure

Compound Identification

SMILES

CC(C)C[C@@H]1O[C@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OS([O-])(=O)=O)[C@@H]4C[C@H](CC[C@]4(C)C3=CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O

InChIKey

InChIKey=CDWQTHXFAOWZPF-VZEXMVPKSA-L

Formula

C33H50O12S

Mass

670.81

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroidal glycosides

Intermediate Tree Nodes

Not available

Direct Parent

Steroid glucuronide conjugates

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Triterpenoid - Steroid-glucuronide-skeleton - Sulfated steroid skeleton - Pregnane-skeleton - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Alkyl glycoside - Sulfated fatty acid - Short-chain hydroxy acid - Hydroxy fatty acid - Heterocyclic fatty acid - Epoxy fatty acid - Branched fatty acid - Beta-hydroxy acid - Fatty acyl - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Pyran - Oxane - Monosaccharide - Hydroxy acid - Organic sulfuric acid or derivatives - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic anion - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as steroid glucuronide conjugates. These are sterol lipids containing a glucuronide moiety linked to the steroid skeleton.

External Descriptors

Not available

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