Structure Information
Structure

Compound Identification

SMILES

CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)COS(O)(=O)=O

InChIKey

InChIKey=JOVLCJDINAUYJW-OXPLYMOZSA-N

Formula

C21H30O8S

Mass

442.52

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Sulfated steroids

Intermediate Tree Nodes

Not available

Direct Parent

Sulfated steroids

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Progestogin-skeleton - Sulfated steroid skeleton - Pregnane-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Hydroxysteroid - 17-hydroxysteroid - 11-hydroxysteroid - Oxosteroid - Delta-4-steroid - Cyclohexenone - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Cyclic alcohol - Alpha-hydroxy ketone - Tertiary alcohol - Ketone - Cyclic ketone - Secondary alcohol - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton.

External Descriptors

KEGG (C02822) : sulfates - C21 steroids (gluco/mineralocorticoids, progestogens) and derivatives

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