Compound Identification
SMILES
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)C2CC[C@@]3(C)C([C@H]4C[C@H]4[C@@]33CCC(=O)O3)C12
InChIKey
InChIKey=XOWMGPADTDPJHZ-CFLQEQJBSA-N
Formula
C25H32O4S
Mass
428.59
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
3-oxo delta-4-steroids Delta-4-steroids Cyclohexenones Gamma butyrolactones Oxolanes Thioesters Carboxylic acid esters Carbothioic S-esters Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Spironolactone - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Delta-4-steroid - Cyclohexenone - Gamma butyrolactone - Oxolane - Cyclic ketone - Thiocarboxylic acid ester - Carboxylic acid ester - Carbothioic s-ester - Ketone - Lactone - Sulfenyl compound - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur 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