Structure Information
Structure

Compound Identification

SMILES

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)COS(O)(=O)=O)[C@]3(C[C@H](O)[C@H]21)C=O

InChIKey

InChIKey=LWCMITUCQRJZGP-ZVIOFETBSA-N

Formula

C21H28O8S

Mass

440.51

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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

Sulfated steroid skeleton - Progestogin-skeleton - Pregnane-skeleton - 20-oxosteroid - 18-oxosteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - Hydroxysteroid - 3-oxosteroid - 3-oxo-delta-4-steroid - Delta-4-steroid - Cyclohexenone - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - 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

Not available

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