Compound Identification
SMILES
COC(=O)[C@@H]1[C@H](C)C2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
InChIKey
InChIKey=XCSCJYCLDJDKOT-VJKKEGIWSA-N
Formula
C25H34O5
Mass
414.542
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 Dicarboxylic acids and derivatives Oxolanes Methyl esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Spironolactone - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Delta-4-steroid - Cyclohexenone - Dicarboxylic acid or derivatives - Gamma butyrolactone - Oxolane - Methyl ester - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Carbonyl group - 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