Structure Information
Structure

Compound Identification

SMILES

C[C@H]1[NH2+]CCC2=CC(O)=C(O)C=C12.CC(C)CC(=O)C[C@](C)(O)[C@H]1CCC2[C@@H]3CC(O)C4C[C@H](CC[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O

InChIKey

InChIKey=IWUIINFRLSNMSJ-NYJDANDDSA-N

Formula

C37H57NO9S

Mass

691.92

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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

Not available

Substituents

Cholestane-skeleton - Dihydroxy bile acid, alcohol, or derivatives - 23-oxosteroid - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - Sulfated steroid skeleton - 20-hydroxysteroid - Oxosteroid - Hydroxysteroid - 6-hydroxysteroid - Tetrahydroisoquinoline - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Benzenoid - Beta-hydroxy ketone - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Tertiary alcohol - Organic sulfuric acid or derivatives - Cyclic alcohol - Ketone - Secondary alcohol - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Amine - Hydrocarbon derivative - Organic oxide - Alcohol - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic 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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