Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H]([C@@H]4O[C@@H]4C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
InChIKey
InChIKey=FSIPNQUJIAOSNJ-VRQGMAQHSA-N
Formula
C22H28O4
Mass
356.462
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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Subclass
Steroid lactones
- Level 5 Spironolactones and derivatives
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Subclass
Steroid lactones
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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
Steroid esters Diterpene lactones Diterpenoids Fatty alcohol esters Oxepanes Cyclohexenones Gamma butyrolactones Tetrahydrofurans Enones Acryloyl compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Spironolactone - Steroid ester - Diterpenoid - Diterpene lactone - Fatty alcohol ester - Cyclohexenone - Oxepane - Gamma butyrolactone - Alpha,beta-unsaturated ketone - Tetrahydrofuran - Enone - Acryloyl-group - Cyclic ketone - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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