Compound Identification
SMILES
CC12CC(O)C3(F)C(CC(F)C4=CC(=O)C=CC34C)C1CC(O)C2(OS(O)(=O)=O)C(=O)CO
InChIKey
InChIKey=NIRADOKNGQOYRK-UHFFFAOYSA-N
Formula
C21H26F2O9S
Mass
492.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Sulfated steroids
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Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
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
21-hydroxysteroids Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids 11-hydroxysteroids 16-hydroxysteroids Halogenated steroids 3-oxo delta-1,4-steroids Delta-1,4-steroids Sulfuric acid monoesters Alkyl sulfates Alpha-hydroxy ketones Secondary alcohols Fluorohydrins Cyclic ketones Cyclic alcohols and derivatives Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides Primary alcohols
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 21-hydroxysteroid - Sulfated steroid skeleton - Pregnane-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 9-halo-steroid - 6-halo-steroid - 16-hydroxysteroid - 11-hydroxysteroid - Halo-steroid - Hydroxysteroid - Oxosteroid - Delta-1,4-steroid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Alpha-hydroxy ketone - Cyclic alcohol - Ketone - Secondary alcohol - Fluorohydrin - Cyclic ketone - Halohydrin - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Primary alcohol - Alkyl halide - Organic oxygen compound - Organic oxide - Alcohol - Alkyl fluoride - 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