Compound Identification
SMILES
CC(C)OC(=O)[C@@H]1C(O)C2=CC(=O)CCC2(C)C2CCC3(C)C(CC[C@@]33CCC(=O)O3)C12
InChIKey
InChIKey=SQDXDCFKVDANPZ-FMAINMQASA-N
Formula
C26H36O6
Mass
444.568
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
6-hydroxysteroids 3-oxo delta-4-steroids Delta-4-steroids Cyclohexenones Beta hydroxy acids and derivatives Gamma butyrolactones Dicarboxylic acids and derivatives Tetrahydrofurans Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Spironolactone - 3-oxo-delta-4-steroid - 3-oxosteroid - 6-hydroxysteroid - Oxosteroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - Beta-hydroxy acid - Dicarboxylic acid or derivatives - Gamma butyrolactone - Hydroxy acid - Cyclic alcohol - Tetrahydrofuran - Secondary alcohol - Cyclic ketone - Carboxylic acid ester - Ketone - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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