Compound Identification
SMILES
[Na+].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)C1=CC(=CC=C1)S([O-])(=O)=O
InChIKey
InChIKey=XGCAQYZQAVKKHC-VDYYWZOJSA-M
Formula
C28H33NaO9S
Mass
568.61
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
Oxosteroids
- Level 5 20-oxosteroids
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Subclass
Oxosteroids
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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
Oxosteroids
Intermediate Tree Nodes
Not available
Direct Parent
20-oxosteroids
Alternative Parents
Androgens and derivatives 3-oxo delta-4-steroids 17-hydroxysteroids 11-beta-hydroxysteroids Delta-4-steroids Diterpenoids Benzoic acid esters Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives Cyclohexenones Alpha-acyloxy ketones Monosaccharides Acyloins Tertiary alcohols Sulfonyls Organosulfonic acids Enones Enoate esters Alpha-hydroxy ketones Acryloyl compounds Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
20-oxosteroid - Diterpenoid - Androgen-skeleton - Androstane-skeleton - 17-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Hydroxysteroid - 3-oxosteroid - 3-oxo-delta-4-steroid - Delta-4-steroid - Benzenesulfonate - Benzoate ester - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzoyl - Cyclohexenone - Alpha-acyloxy ketone - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Acyloin - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Enone - Cyclic alcohol - Alpha-hydroxy ketone - Acryloyl-group - Cyclic ketone - Secondary alcohol - Ketone - Carboxylic acid ester - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 20-oxosteroids. These are steroid derivatives carrying a C=O group at the 20-position of the steroid skeleton.
External Descriptors
Not available