Compound Identification
SMILES
CC12CC(O)C3C(CCC4=CC(CCC34C)=NOCC(=O)NCC3=CC=C(C=C3)C(O)=O)C1CCC2(O)C(=O)CO
InChIKey
InChIKey=QMBVEJCUARVHHU-UHFFFAOYSA-N
Formula
C31H40N2O8
Mass
568.667
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
-
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
20-oxosteroids Pregnane steroids 11-hydroxysteroids 17-hydroxysteroids Delta-4-steroids Benzoic acids Benzoyl derivatives Tertiary alcohols Alpha-hydroxy ketones Secondary carboxylic acid amides Secondary alcohols Oxime ethers Cyclic alcohols and derivatives Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
21-hydroxysteroid - Pregnane-skeleton - 20-oxosteroid - 17-hydroxysteroid - 11-hydroxysteroid - Oxosteroid - Delta-4-steroid - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Monocyclic benzene moiety - Benzenoid - Alpha-hydroxy ketone - Tertiary alcohol - Cyclic alcohol - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Oxime ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary alcohol - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic 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