Compound Identification
SMILES
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(OC(=O)CCC(O)=O)C(=O)CO
InChIKey
InChIKey=AUUVLWKNNCMACF-WFLBVZAHSA-N
Formula
C25H30O8
Mass
458.507
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Hydroxysteroids
- Level 5 21-hydroxysteroids
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Subclass
Hydroxysteroids
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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
Hydroxysteroids
Intermediate Tree Nodes
Not available
Direct Parent
21-hydroxysteroids
Alternative Parents
Gluco/mineralocorticoids, progestogins and derivatives Steroid esters 20-oxosteroids 3-oxo delta-1,4-steroids 11-oxosteroids Delta-1,4-steroids Alpha-acyloxy ketones Dicarboxylic acids and derivatives Alpha-hydroxy ketones Cyclic ketones Carboxylic acid esters Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 21-hydroxysteroid - Pregnane-skeleton - Steroid ester - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - Oxosteroid - 11-oxosteroid - Delta-1,4-steroid - Alpha-acyloxy ketone - Dicarboxylic acid or derivatives - Alpha-hydroxy ketone - Carboxylic acid ester - Cyclic ketone - Ketone - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
External Descriptors
Not available