Structure Information
Structure

Compound Identification

SMILES

[Na+].CC(C)C[C@@H]1O[C@H]1[C@@H](C)[C@H]1CCC2C3=CCC4[C@H](OS([O-])(=O)=O)[C@@H](OC(C)=O)[C@H](O)C[C@]4(C)C3CC[C@]12C

InChIKey

InChIKey=PTSWDENZBQCZHA-VBMHFPRFSA-M

Formula

C29H45NaO8S

Mass

576.72

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Cholestane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Cholestane steroids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Cholestane-skeleton - Sulfated steroid skeleton - Steroid ester - 12-hydroxysteroid - 2-hydroxysteroid - Hydroxysteroid - 12-beta-hydroxysteroid - Delta-7-steroid - Cyclitol or derivatives - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Cyclic alcohol - Organic sulfuric acid or derivatives - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Organic salt - Alcohol - Organic sodium salt - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cholestane steroids. These are steroids with a structure containing the 27-carbon cholestane skeleton.

External Descriptors

Not available

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