Compound Identification
SMILES
CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC21OC(=O)C(O)C1O
InChIKey
InChIKey=RPNMPEPSZIEIJK-UHFFFAOYSA-N
Formula
C22H28O6
Mass
388.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroid lactones
- Level 5 Spironolactones and derivatives
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Subclass
Steroid lactones
-
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
Steroid lactones
Intermediate Tree Nodes
Not available
Direct Parent
Spironolactones and derivatives
Alternative Parents
Hydroxysteroids 3-oxo delta-4-steroids 11-oxosteroids Delta-4-steroids Cyclohexenones Monosaccharides Gamma butyrolactones Tetrahydrofurans Secondary alcohols Carboxylic acid esters 1,2-diols Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Spironolactone - 20-hydroxysteroid - Oxosteroid - 11-oxosteroid - Hydroxysteroid - 3-oxosteroid - 3-oxo-delta-4-steroid - Delta-4-steroid - Cyclohexenone - Monosaccharide - Gamma butyrolactone - Tetrahydrofuran - Cyclic ketone - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - 1,2-diol - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as spironolactones and derivatives. These are steroid lactones with a structure based on the spironolactone skeleton.
External Descriptors
Not available