Compound Identification
SMILES
CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1.C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
InChIKey
InChIKey=WGFLWHXWFRMQLR-HNGAPHHWSA-N
Formula
C40H46N2O7
Mass
666.815
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Hydroxysteroids
- Level 5 21-hydroxysteroids
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Subclass
Hydroxysteroids
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Class
Steroids and steroid derivatives
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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 20-oxosteroids 11-oxosteroids 17-hydroxysteroids 3-oxo delta-1,4-steroids Delta-1,4-steroids Pyrazolidinones 1,3-dicarbonyl compounds Benzene and substituted derivatives Tertiary alcohols Alpha-hydroxy ketones Cyclic ketones Cyclic alcohols and derivatives Carboxylic acid hydrazides Azacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organonitrogen compounds
Molecular Framework
Not available
Substituents
Progestogin-skeleton - 21-hydroxysteroid - 20-oxosteroid - Pregnane-skeleton - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 11-oxosteroid - Oxosteroid - 17-hydroxysteroid - Delta-1,4-steroid - Monocyclic benzene moiety - Pyrazolidinone - Benzenoid - 1,3-dicarbonyl compound - Alpha-hydroxy ketone - Tertiary alcohol - Cyclic alcohol - Pyrazolidine - Carboxylic acid hydrazide - Cyclic ketone - Ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic heteropolycyclic 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