Compound Identification
SMILES
C[C@@H]1C[C@H]2[C@@H]3C=C(C)C4=CC5=C(C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C1=CC(=CC=C1)S(O)(=O)=O)C=NN5C1=CC=CC=C1
InChIKey
InChIKey=ZKIDWWQMNXGYHV-BYJSBFAFSA-N
Formula
C37H40N2O8S
Mass
672.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 11-beta-hydroxysteroids 17-hydroxysteroids Phenylpyrazoles Benzenesulfonic acids and derivatives Benzoic acid esters Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives Tertiary alcohols Sulfonyls Organosulfonic acids Alpha-hydroxy ketones Heteroaromatic compounds Cyclic alcohols and derivatives Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pregnane-skeleton - 20-oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - 17-hydroxysteroid - Oxosteroid - Hydroxysteroid - Phenylpyrazole - Benzenesulfonate - Benzoate ester - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Alpha-hydroxy ketone - Azole - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Pyrazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Secondary alcohol - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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