Compound Identification
SMILES
COC(=O)C(CC1=CC(=C(O)C=C1)[N+]([O-])=O)NC(=O)CON=C1CCC2(C)C3CCC4(C)C(CCC4C(C)=O)C3CCC2=C1
InChIKey
InChIKey=QEJFEIOBCOMMKR-UHFFFAOYSA-N
Formula
C33H43N3O8
Mass
609.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
- Subclass Pregnane steroids
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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
Pregnane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Pregnane steroids
Alternative Parents
20-oxosteroids Tyrosine and derivatives Delta-4-steroids Phenylalanine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid esters Amphetamines and derivatives Nitrophenols Nitrobenzenes Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Methyl esters Secondary carboxylic acid amides Ketones Oxime ethers Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Pregnane-skeleton - 20-oxosteroid - Oxosteroid - Tyrosine or derivatives - Phenylalanine or derivatives - Delta-4-steroid - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Nitrophenol - Amphetamine or derivatives - Nitrobenzene - Nitroaromatic compound - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Methyl ester - Carboxamide group - Carboxylic acid ester - Organic nitro compound - Ketone - C-nitro compound - Oxime ether - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic salt - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic nitrogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as pregnane steroids. These are steroids with a structure based on the 21-carbon pregnane skeleton.
External Descriptors
Not available